CID 491032

Ethyl n-[5-fluoro-6-(4-methyl-1-piperidyl)-1h-benzimidazol-2-yl]carbamate

Structural Information

Molecular Formula
C16H21FN4O2
SMILES
CCOC(=O)NC1=NC2=CC(=C(C=C2N1)F)N3CCC(CC3)C
InChI
InChI=1S/C16H21FN4O2/c1-3-23-16(22)20-15-18-12-8-11(17)14(9-13(12)19-15)21-6-4-10(2)5-7-21/h8-10H,3-7H2,1-2H3,(H2,18,19,20,22)
InChIKey
BYBAKOHXIOWSDN-UHFFFAOYSA-N
Compound name
ethyl N-[6-fluoro-5-(4-methylpiperidin-1-yl)-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.16486 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17214 175.1
[M+Na]+ 343.15408 182.4
[M-H]- 319.15758 176.2
[M+NH4]+ 338.19868 187.4
[M+K]+ 359.12802 177.0
[M+H-H2O]+ 303.16212 164.8
[M+HCOO]- 365.16306 190.5
[M+CH3COO]- 379.17871 207.2
[M+Na-2H]- 341.13953 175.9
[M]+ 320.16431 172.5
[M]- 320.16541 172.5
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.