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 181.1
[M+Na]+ 396.99552 193.5
[M-H]- 372.99902 188.5
[M+NH4]+ 392.04012 198.3
[M+K]+ 412.96946 185.8
[M+H-H2O]+ 357.00356 176.4
[M+HCOO]- 419.00450 190.6
[M+CH3COO]- 433.02015 192.4
[M+Na-2H]- 394.98097 182.5
[M]+ 374.00575 187.3
[M]- 374.00685 187.3
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.