CID 3038332

27150-11-4

Structural Information

Molecular Formula
C16H11ClN4OS2
SMILES
C1=CC=C2C(=C1)N=C3N2C(=O)C(S3)NC(=S)NC4=CC=CC=C4Cl
InChI
InChI=1S/C16H11ClN4OS2/c17-9-5-1-2-6-10(9)18-15(23)20-13-14(22)21-12-8-4-3-7-11(12)19-16(21)24-13/h1-8,13H,(H2,18,20,23)
InChIKey
OUJPOGMKHNWUQB-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0063 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.01358 179.1
[M+Na]+ 396.99552 191.9
[M+NH4]+ 392.04012 188.1
[M+K]+ 412.96946 183.7
[M-H]- 372.99902 183.8
[M+Na-2H]- 394.98097 184.9
[M]+ 374.00575 183.3
[M]- 374.00685 183.3
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.