CID 9636824

2-{[1-(2-chlorobenzyl)-1h-benzimidazol-2-yl]sulfanyl}-n'-[(e)-(3-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/c1-17-7-6-8-18(13-17)14-26-28-23(30)16-31-24-27-21-11-4-5-12-22(21)29(24)15-19-9-2-3-10-20(19)25/h2-14H,15-16H2,1H3,(H,28,30)/b26-14+
InChIKey
FENXLVFAJHJNAA-VULFUBBASA-N
Compound name
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(E)-(3-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 206.8
[M+Na]+ 471.10168 223.1
[M+NH4]+ 466.14628 214.9
[M+K]+ 487.07562 212.0
[M-H]- 447.10518 214.4
[M+Na-2H]- 469.08713 216.9
[M]+ 448.11191 212.2
[M]- 448.11301 212.2
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.