CID 3038324

Thiourea, n-(2,3-dihydro-3-oxothiazolo(3,2-a)benzimidazol-2-yl)-n'-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C16H12N4OS2
SMILES
C1=CC=C(C=C1)NC(=S)NC2C(=O)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C16H12N4OS2/c21-14-13(19-15(22)17-10-6-2-1-3-7-10)23-16-18-11-8-4-5-9-12(11)20(14)16/h1-9,13H,(H2,17,19,22)
InChIKey
LDSZMGLQMVQVTF-UHFFFAOYSA-N
Compound name
1-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.04526 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.05254 172.2
[M+Na]+ 363.03448 183.5
[M-H]- 339.03798 179.3
[M+NH4]+ 358.07908 189.7
[M+K]+ 379.00842 176.8
[M+H-H2O]+ 323.04252 166.7
[M+HCOO]- 385.04346 186.4
[M+CH3COO]- 399.05911 183.8
[M+Na-2H]- 361.01993 174.9
[M]+ 340.04471 176.2
[M]- 340.04581 176.2
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.