PubChemLite - 303060-63-1 (C26H16Cl4N2O2)

Structural Information

Molecular Formula

SMILES

C1C2C3=C(C(=CC(=C3)Cl)Cl)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=C(C(=CC(=C6)Cl)Cl)O

InChI

InChI=1S/C26H16Cl4N2O2/c27-16-8-18-23-12-22(15-6-5-13-3-1-2-4-14(13)7-15)31-32(23)26(34-25(18)21(30)11-16)19-9-17(28)10-20(29)24(19)33/h1-11,23,26,33H,12H2

InChIKey

NICQFJFTWROAPK-UHFFFAOYSA-N

Compound name

2,4-dichloro-6-(7,9-dichloro-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenol

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]+	529.00388	219.7
[M+Na]+	550.98582	231.3
[M-H]-	526.98932	224.8
[M+NH4]+	546.03042	227.3
[M+K]+	566.95976	224.0
[M+H-H2O]+	510.99386	209.3
[M+HCOO]-	572.99480	212.8
[M+CH3COO]-	587.01045	225.6
[M+Na-2H]-	548.97127	216.3
[M]+	527.99605	224.3
[M]-	527.99715	224.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

529.00388

219.7

[M+Na]+

550.98582

231.3

[M-H]-

526.98932

224.8

[M+NH4]+

546.03042

227.3

[M+K]+

566.95976

224.0

[M+H-H2O]+

510.99386

209.3

[M+HCOO]-

572.99480

212.8

[M+CH3COO]-

587.01045

225.6

[M+Na-2H]-

548.97127

216.3

[M]+

527.99605

224.3

[M]-

527.99715

224.3

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

303060-63-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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