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]+ 431.153636 202.5
[M+Na]+ 453.135578 210.2
[M-H]- 429.139084 212.0
[M+NH4]+ 448.180183 212.6
[M+K]+ 469.109518 203.1
[M+H-H2O]+ 413.143620 191.6
[M+HCOO]- 475.144561 222.5
[M+CH3COO]- 489.160211 211.8
[M+Na-2H]- 451.121026 205.4
[M]+ 430.14581142 208.8
[M]- 430.14690858 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.