CID 15950844

Asp8477

Structural Information

Molecular Formula
C18H19N3O3
SMILES
C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)OC3=CN=CC=C3
InChI
InChI=1S/C18H19N3O3/c22-17(20-15-5-2-1-3-6-15)14-8-11-21(12-9-14)18(23)24-16-7-4-10-19-13-16/h1-7,10,13-14H,8-9,11-12H2,(H,20,22)
InChIKey
PLCMZPFTMOAGOE-UHFFFAOYSA-N
Compound name
pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

54
Patents

325.14264 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 175.7
[M+Na]+ 348.13186 178.5
[M-H]- 324.13536 181.3
[M+NH4]+ 343.17646 185.2
[M+K]+ 364.10580 174.8
[M+H-H2O]+ 308.13990 164.4
[M+HCOO]- 370.14084 193.0
[M+CH3COO]- 384.15649 206.9
[M+Na-2H]- 346.11731 178.8
[M]+ 325.14209 171.1
[M]- 325.14319 171.1
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

patents stripe