CID 5344514

2-[(1-benzyl-1h-benzimidazol-2-yl)sulfanyl]-n'-[(e)-(2-methoxyphenyl)methylidene]acetohydrazide

Structural Information

Molecular Formula
C24H22N4O2S
SMILES
COC1=CC=CC=C1/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4
InChI
InChI=1S/C24H22N4O2S/c1-30-22-14-8-5-11-19(22)15-25-27-23(29)17-31-24-26-20-12-6-7-13-21(20)28(24)16-18-9-3-2-4-10-18/h2-15H,16-17H2,1H3,(H,27,29)/b25-15+
InChIKey
NHSNHNGSEDBEQM-MFKUBSTISA-N
Compound name
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.14636 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.15364 202.5
[M+Na]+ 453.13558 210.2
[M-H]- 429.13908 212.0
[M+NH4]+ 448.18018 212.6
[M+K]+ 469.10952 203.1
[M+H-H2O]+ 413.14362 191.6
[M+HCOO]- 475.14456 222.5
[M+CH3COO]- 489.16021 211.8
[M+Na-2H]- 451.12103 205.4
[M]+ 430.14581 208.8
[M]- 430.14691 208.8
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.