PubChemLite - Schembl2685757 (C24H25Cl2N3O3)

Structural Information

Molecular Formula

SMILES

CC(C)COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)N(CCO)C3=C(C=CC=N3)Cl

InChI

InChI=1S/C24H25Cl2N3O3/c1-16(2)15-32-19-8-6-18(7-9-19)28-24(31)17-5-10-20(25)22(14-17)29(12-13-30)23-21(26)4-3-11-27-23/h3-11,14,16,30H,12-13,15H2,1-2H3,(H,28,31)

InChIKey

BQRACGGWLNJTKY-UHFFFAOYSA-N

Compound name

4-chloro-3-[(3-chloropyridin-2-yl)-(2-hydroxyethyl)amino]-N-[4-(2-methylpropoxy)phenyl]benzamide

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]+	474.13458	210.1
[M+Na]+	496.11652	215.6
[M-H]-	472.12002	217.4
[M+NH4]+	491.16112	217.2
[M+K]+	512.09046	209.5
[M+H-H2O]+	456.12456	200.3
[M+HCOO]-	518.12550	221.4
[M+CH3COO]-	532.14115	239.4
[M+Na-2H]-	494.10197	209.3
[M]+	473.12675	216.5
[M]-	473.12785	216.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.13458

210.1

[M+Na]+

496.11652

215.6

[M-H]-

472.12002

217.4

[M+NH4]+

491.16112

217.2

[M+K]+

512.09046

209.5

[M+H-H2O]+

456.12456

200.3

[M+HCOO]-

518.12550

221.4

[M+CH3COO]-

532.14115

239.4

[M+Na-2H]-

494.10197

209.3

[M]+

473.12675

216.5

[M]-

473.12785

216.5

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

Schembl2685757

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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