CID 9621182

2-{[1-(2-chlorobenzyl)-1h-benzimidazol-2-yl]sulfanyl}-n'-[(e)-(2-methylphenyl)methylidene]acetohydrazide

Structural Information

Molecular Formula
C24H21ClN4OS
SMILES
CC1=CC=CC=C1/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4Cl
InChI
InChI=1S/C24H21ClN4OS/c1-17-8-2-3-9-18(17)14-26-28-23(30)16-31-24-27-21-12-6-7-13-22(21)29(24)15-19-10-4-5-11-20(19)25/h2-14H,15-16H2,1H3,(H,28,30)/b26-14+
InChIKey
RKFXAJIISNHLPL-VULFUBBASA-N
Compound name
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.11246 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.11974 207.8
[M+Na]+ 471.10168 217.4
[M-H]- 447.10518 217.5
[M+NH4]+ 466.14628 218.6
[M+K]+ 487.07562 208.4
[M+H-H2O]+ 431.10972 197.6
[M+HCOO]- 493.11066 222.9
[M+CH3COO]- 507.12631 217.2
[M+Na-2H]- 469.08713 209.2
[M]+ 448.11191 215.6
[M]- 448.11301 215.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.