CID 3038143

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

Structural Information

Molecular Formula
C17H14N4OS2
SMILES
CC1=CC=C(C=C1)NC(=S)NC2C(=O)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C17H14N4OS2/c1-10-6-8-11(9-7-10)18-16(23)20-14-15(22)21-13-5-3-2-4-12(13)19-17(21)24-14/h2-9,14H,1H3,(H2,18,20,23)
InChIKey
YXJBFVVCAOGJAQ-UHFFFAOYSA-N
Compound name
1-(4-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]+ 355.068176 177.4
[M+Na]+ 377.050118 188.9
[M-H]- 353.053624 184.6
[M+NH4]+ 372.094723 194.6
[M+K]+ 393.024058 182.0
[M+H-H2O]+ 337.058160 171.9
[M+HCOO]- 399.059101 191.1
[M+CH3COO]- 413.074751 188.8
[M+Na-2H]- 375.035566 178.9
[M]+ 354.06035142 182.0
[M]- 354.06144858 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.