PubChemLite - 325854-84-0 (C26H24ClN3O3)

Structural Information

Molecular Formula

SMILES

CC1=CC=CC=C1N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4Cl)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C26H24ClN3O3/c1-16-8-4-6-10-20(16)30-23(17-12-14-18(15-13-17)28(2)3)22-24(33-30)26(32)29(25(22)31)21-11-7-5-9-19(21)27/h4-15,22-24H,1-3H3

InChIKey

LMCZNLCTHQTFPL-UHFFFAOYSA-N

Compound name

5-(2-chlorophenyl)-3-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

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]+	462.15788	215.3
[M+Na]+	484.13982	224.3
[M-H]-	460.14332	229.1
[M+NH4]+	479.18442	225.3
[M+K]+	500.11376	218.6
[M+H-H2O]+	444.14786	205.2
[M+HCOO]-	506.14880	228.9
[M+CH3COO]-	520.16445	224.7
[M+Na-2H]-	482.12527	209.4
[M]+	461.15005	219.8
[M]-	461.15115	219.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.15788

215.3

[M+Na]+

484.13982

224.3

[M-H]-

460.14332

229.1

[M+NH4]+

479.18442

225.3

[M+K]+

500.11376

218.6

[M+H-H2O]+

444.14786

205.2

[M+HCOO]-

506.14880

228.9

[M+CH3COO]-

520.16445

224.7

[M+Na-2H]-

482.12527

209.4

[M]+

461.15005

219.8

[M]-

461.15115

219.8

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

325854-84-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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