CID 135558972

2-((1-(2-chlorobenzyl)-1h-benzimidazol-2-yl)sulfanyl)-n'-((e)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene)acetohydrazide

Structural Information

Molecular Formula
C25H23ClN4O4S
SMILES
COC1=CC(=CC(=C1O)OC)/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4Cl
InChI
InChI=1S/C25H23ClN4O4S/c1-33-21-11-16(12-22(34-2)24(21)32)13-27-29-23(31)15-35-25-28-19-9-5-6-10-20(19)30(25)14-17-7-3-4-8-18(17)26/h3-13,32H,14-15H2,1-2H3,(H,29,31)/b27-13+
InChIKey
FIIKAWYBIDOEAL-UVHMKAGCSA-N
Compound name
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.11285 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.120126 220.0
[M+Na]+ 533.102068 229.0
[M-H]- 509.105574 229.0
[M+NH4]+ 528.146673 227.7
[M+K]+ 549.076008 221.8
[M+H-H2O]+ 493.110110 210.2
[M+HCOO]- 555.111051 233.8
[M+CH3COO]- 569.126701 243.5
[M+Na-2H]- 531.087516 220.3
[M]+ 510.11230142 231.2
[M]- 510.11339858 231.2
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.