CID 7420494

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-SSDVNMTOSA-N
Compound name
N-[(E)-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 192.7
[M+Na]+ 429.03140 203.3
[M-H]- 405.03490 199.4
[M+NH4]+ 424.07600 206.3
[M+K]+ 445.00534 195.8
[M+H-H2O]+ 389.03944 185.1
[M+HCOO]- 451.04038 202.4
[M+CH3COO]- 465.05603 202.9
[M+Na-2H]- 427.01685 192.8
[M]+ 406.04163 201.6
[M]- 406.04273 201.6
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.