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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe