CID 3019309

Ethyl 4-carbamoyl-4-(phenylamino)piperidine-1-carboxylate

Structural Information

Molecular Formula
C15H21N3O3
SMILES
CCOC(=O)N1CCC(CC1)(C(=O)N)NC2=CC=CC=C2
InChI
InChI=1S/C15H21N3O3/c1-2-21-14(20)18-10-8-15(9-11-18,13(16)19)17-12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3,(H2,16,19)
InChIKey
HUXFLUGDDURGAH-UHFFFAOYSA-N
Compound name
ethyl 4-anilino-4-carbamoylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

291.1583 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.165576 168.1
[M+Na]+ 314.147518 171.3
[M-H]- 290.151024 171.9
[M+NH4]+ 309.192123 182.6
[M+K]+ 330.121458 169.2
[M+H-H2O]+ 274.155560 159.7
[M+HCOO]- 336.156501 187.0
[M+CH3COO]- 350.172151 203.9
[M+Na-2H]- 312.132966 170.8
[M]+ 291.15775142 163.6
[M]- 291.15884858 163.6
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

patents stripe