CID 9558459

2-[(1-benzyl-1h-benzimidazol-2-yl)sulfanyl]-n'-(2-pyridinylmethylene)acetohydrazide

Structural Information

Molecular Formula
C22H19N5OS
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC(=O)N/N=C/C4=CC=CC=N4
InChI
InChI=1S/C22H19N5OS/c28-21(26-24-14-18-10-6-7-13-23-18)16-29-22-25-19-11-4-5-12-20(19)27(22)15-17-8-2-1-3-9-17/h1-14H,15-16H2,(H,26,28)/b24-14+
InChIKey
VWSFQGZVCJAUQA-ZVHZXABRSA-N
Compound name
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.13104 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.13832 193.0
[M+Na]+ 424.12026 201.3
[M-H]- 400.12376 201.3
[M+NH4]+ 419.16486 203.0
[M+K]+ 440.09420 193.6
[M+H-H2O]+ 384.12830 182.0
[M+HCOO]- 446.12924 212.4
[M+CH3COO]- 460.14489 202.5
[M+Na-2H]- 422.10571 197.7
[M]+ 401.13049 197.5
[M]- 401.13159 197.5
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.