CID 3061162

1h-benzimidazole-2-acetic acid, 2-(((2-methoxyphenyl)amino)thioxomethyl)hydrazide

Structural Information

Molecular Formula
C17H17N5O2S
SMILES
COC1=CC=CC=C1NC(=S)NNC(=O)CC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C17H17N5O2S/c1-24-14-9-5-4-8-13(14)20-17(25)22-21-16(23)10-15-18-11-6-2-3-7-12(11)19-15/h2-9H,10H2,1H3,(H,18,19)(H,21,23)(H2,20,22,25)
InChIKey
RKHNJHWCRMLYIO-UHFFFAOYSA-N
Compound name
1-[[2-(1H-benzimidazol-2-yl)acetyl]amino]-3-(2-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1103 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11758 179.4
[M+Na]+ 378.09952 189.3
[M+NH4]+ 373.14412 185.3
[M+K]+ 394.07346 183.5
[M-H]- 354.10302 182.7
[M+Na-2H]- 376.08497 185.8
[M]+ 355.10975 181.7
[M]- 355.11085 181.7
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.