CID 12298146

61085-55-0

Structural Information

Molecular Formula
C21H26N2O2
SMILES
COC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O2/c1-25-20(24)21(22-19-10-6-3-7-11-19)13-16-23(17-14-21)15-12-18-8-4-2-5-9-18/h2-11,22H,12-17H2,1H3
InChIKey
IFQWTLUCYHGSSI-UHFFFAOYSA-N
Compound name
methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

338.19943 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 183.3
[M+Na]+ 361.18865 185.9
[M-H]- 337.19215 189.9
[M+NH4]+ 356.23325 195.8
[M+K]+ 377.16259 181.5
[M+H-H2O]+ 321.19669 172.6
[M+HCOO]- 383.19763 201.5
[M+CH3COO]- 397.21328 211.5
[M+Na-2H]- 359.17410 186.6
[M]+ 338.19888 179.6
[M]- 338.19998 179.6
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