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]+ 511.12013 220.0
[M+Na]+ 533.10207 229.0
[M-H]- 509.10557 229.0
[M+NH4]+ 528.14667 227.7
[M+K]+ 549.07601 221.8
[M+H-H2O]+ 493.11011 210.2
[M+HCOO]- 555.11105 233.8
[M+CH3COO]- 569.12670 243.5
[M+Na-2H]- 531.08752 220.3
[M]+ 510.11230 231.2
[M]- 510.11340 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.