CID 326899

27146-16-3

Structural Information

Molecular Formula
C13H12N4O2S
SMILES
CCOC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CSC=N3
InChI
InChI=1S/C13H12N4O2S/c1-2-19-13(18)15-8-3-4-9-10(5-8)17-12(16-9)11-6-20-7-14-11/h3-7H,2H2,1H3,(H,15,18)(H,16,17)
InChIKey
VRXADELDEAADGK-UHFFFAOYSA-N
Compound name
ethyl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

288.06808 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07536 162.2
[M+Na]+ 311.05730 172.8
[M-H]- 287.06080 166.5
[M+NH4]+ 306.10190 178.6
[M+K]+ 327.03124 168.2
[M+H-H2O]+ 271.06534 154.9
[M+HCOO]- 333.06628 180.4
[M+CH3COO]- 347.08193 174.2
[M+Na-2H]- 309.04275 164.4
[M]+ 288.06753 166.8
[M]- 288.06863 166.8
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.