CID 5450704

N-[(z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

Structural Information

Molecular Formula
C18H16Cl2N4OS
SMILES
C/C(=N/NC(=O)CSC1=NC2=CC=CC=C2N1C)/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H16Cl2N4OS/c1-11(12-7-8-13(19)14(20)9-12)22-23-17(25)10-26-18-21-15-5-3-4-6-16(15)24(18)2/h3-9H,10H2,1-2H3,(H,23,25)/b22-11-
InChIKey
SVWPDCQJVONQRM-JJFYIABZSA-N
Compound name
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.04218 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.04946 193.0
[M+Na]+ 429.03140 207.6
[M+NH4]+ 424.07600 200.8
[M+K]+ 445.00534 198.3
[M-H]- 405.03490 197.5
[M+Na-2H]- 427.01685 200.0
[M]+ 406.04163 197.4
[M]- 406.04273 197.4
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.