PubChemLite - 7,9-dichloro-2-(naphthalen-2-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,1'-cyclohexane] (C25H22Cl2N2O)

Structural Information

Molecular Formula

SMILES

C1CCC2(CC1)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C(=CC(=C6)Cl)Cl

InChI

InChI=1S/C25H22Cl2N2O/c26-19-13-20-23-15-22(18-9-8-16-6-2-3-7-17(16)12-18)28-29(23)25(10-4-1-5-11-25)30-24(20)21(27)14-19/h2-3,6-9,12-14,23H,1,4-5,10-11,15H2

InChIKey

CCOYJWMHPDOPRE-UHFFFAOYSA-N

Compound name

7,9-dichloro-2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	437.11821	205.1
[M+Na]+	459.10015	214.3
[M-H]-	435.10365	212.1
[M+NH4]+	454.14475	218.2
[M+K]+	475.07409	205.6
[M+H-H2O]+	419.10819	192.6
[M+HCOO]-	481.10913	206.2
[M+CH3COO]-	495.12478	212.5
[M+Na-2H]-	457.08560	205.3
[M]+	436.11038	204.2
[M]-	436.11148	204.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.11821

205.1

[M+Na]+

459.10015

214.3

[M-H]-

435.10365

212.1

[M+NH4]+

454.14475

218.2

[M+K]+

475.07409

205.6

[M+H-H2O]+

419.10819

192.6

[M+HCOO]-

481.10913

206.2

[M+CH3COO]-

495.12478

212.5

[M+Na-2H]-

457.08560

205.3

[M]+

436.11038

204.2

[M]-

436.11148

204.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

7,9-dichloro-2-(naphthalen-2-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,1'-cyclohexane]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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