PubChemLite - Schembl4126440 (C26H18Cl3N5O)

Structural Information

Molecular Formula

SMILES

CN(C1=CC(=CC=C1)Cl)NC(=O)C2=C3N=CC(=C(N3N=C2)C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

InChI

InChI=1S/C26H18Cl3N5O/c1-33(19-6-4-5-18(28)13-19)32-26(35)22-15-31-34-24(16-9-11-17(27)12-10-16)21(14-30-25(22)34)20-7-2-3-8-23(20)29/h2-15H,1H3,(H,32,35)

InChIKey

VZJOGKVKWHCJNG-UHFFFAOYSA-N

Compound name

6-(2-chlorophenyl)-N'-(3-chlorophenyl)-7-(4-chlorophenyl)-N'-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide

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]+	522.06498	219.2
[M+Na]+	544.04692	229.2
[M-H]-	520.05042	228.4
[M+NH4]+	539.09152	225.1
[M+K]+	560.02086	220.7
[M+H-H2O]+	504.05496	206.4
[M+HCOO]-	566.05590	225.9
[M+CH3COO]-	580.07155	226.4
[M+Na-2H]-	542.03237	219.4
[M]+	521.05715	226.4
[M]-	521.05825	226.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

522.06498

219.2

[M+Na]+

544.04692

229.2

[M-H]-

520.05042

228.4

[M+NH4]+

539.09152

225.1

[M+K]+

560.02086

220.7

[M+H-H2O]+

504.05496

206.4

[M+HCOO]-

566.05590

225.9

[M+CH3COO]-

580.07155

226.4

[M+Na-2H]-

542.03237

219.4

[M]+

521.05715

226.4

[M]-

521.05825

226.4

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

Schembl4126440

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe