CID 3038326

Urea, 1-(2,3-dihydro-3-oxothiazolo(3,2-a)benzimidazol-2-yl)-2-thio-3-o-tolyl-, monohydrochloride

Structural Information

Molecular Formula
C17H14N4OS2
SMILES
CC1=CC=CC=C1NC(=S)NC2C(=O)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C17H14N4OS2/c1-10-6-2-3-7-11(10)18-16(23)20-14-15(22)21-13-9-5-4-8-12(13)19-17(21)24-14/h2-9,14H,1H3,(H2,18,20,23)
InChIKey
ZXTKHMWEJQLXKT-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-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

354.0609 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.06818 176.3
[M+Na]+ 377.05012 188.1
[M+NH4]+ 372.09472 185.0
[M+K]+ 393.02406 180.7
[M-H]- 353.05362 181.0
[M+Na-2H]- 375.03557 182.0
[M]+ 354.06035 180.1
[M]- 354.06145 180.1
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.