CID 3056309

73688-73-0

Structural Information

Molecular Formula
C14H13N3OS
SMILES
C1=CC=C2C(=C1)NC(=S)N2CNC3=CC=C(C=C3)O
InChI
InChI=1S/C14H13N3OS/c18-11-7-5-10(6-8-11)15-9-17-13-4-2-1-3-12(13)16-14(17)19/h1-8,15,18H,9H2,(H,16,19)
InChIKey
UJIDNHBMDZSSBF-UHFFFAOYSA-N
Compound name
3-[(4-hydroxyanilino)methyl]-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.07794 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08522 157.3
[M+Na]+ 294.06716 168.4
[M-H]- 270.07066 161.1
[M+NH4]+ 289.11176 173.4
[M+K]+ 310.04110 160.7
[M+H-H2O]+ 254.07520 150.4
[M+HCOO]- 316.07614 174.8
[M+CH3COO]- 330.09179 169.3
[M+Na-2H]- 292.05261 161.8
[M]+ 271.07739 158.7
[M]- 271.07849 158.7
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.