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 192.1
[M+Na]+ 424.12026 207.0
[M+NH4]+ 419.16486 199.4
[M+K]+ 440.09420 197.5
[M-H]- 400.12376 198.8
[M+Na-2H]- 422.10571 203.0
[M]+ 401.13049 196.6
[M]- 401.13159 196.6
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.