CID 3038328

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

Structural Information

Molecular Formula
C17H14N4OS2
SMILES
CC1=CC(=CC=C1)NC(=S)NC2C(=O)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C17H14N4OS2/c1-10-5-4-6-11(9-10)18-16(23)20-14-15(22)21-13-8-3-2-7-12(13)19-17(21)24-14/h2-9,14H,1H3,(H2,18,20,23)
InChIKey
QPKGLLTYYVRVRQ-UHFFFAOYSA-N
Compound name
1-(3-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 177.4
[M+Na]+ 377.05012 188.9
[M-H]- 353.05362 184.6
[M+NH4]+ 372.09472 194.6
[M+K]+ 393.02406 182.0
[M+H-H2O]+ 337.05816 171.9
[M+HCOO]- 399.05910 191.1
[M+CH3COO]- 413.07475 188.8
[M+Na-2H]- 375.03557 178.9
[M]+ 354.06035 182.0
[M]- 354.06145 182.0
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.