CID 491033

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

Structural Information

Molecular Formula
C21H23FN4O2
SMILES
CCOC(=O)NC1=NC2=CC(=C(C=C2N1)F)N3CCC(CC3)C4=CC=CC=C4
InChI
InChI=1S/C21H23FN4O2/c1-2-28-21(27)25-20-23-17-12-16(22)19(13-18(17)24-20)26-10-8-15(9-11-26)14-6-4-3-5-7-14/h3-7,12-13,15H,2,8-11H2,1H3,(H2,23,24,25,27)
InChIKey
UQLWKQVBSCCZKV-UHFFFAOYSA-N
Compound name
ethyl N-[6-fluoro-5-(4-phenylpiperidin-1-yl)-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.1805 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.18778 190.5
[M+Na]+ 405.16972 196.7
[M-H]- 381.17322 194.4
[M+NH4]+ 400.21432 199.5
[M+K]+ 421.14366 189.6
[M+H-H2O]+ 365.17776 178.5
[M+HCOO]- 427.17870 205.4
[M+CH3COO]- 441.19435 198.3
[M+Na-2H]- 403.15517 191.1
[M]+ 382.17995 187.0
[M]- 382.18105 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.