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]+ 339.206706 183.3
[M+Na]+ 361.188648 185.9
[M-H]- 337.192154 189.9
[M+NH4]+ 356.233253 195.8
[M+K]+ 377.162588 181.5
[M+H-H2O]+ 321.196690 172.6
[M+HCOO]- 383.197631 201.5
[M+CH3COO]- 397.213281 211.5
[M+Na-2H]- 359.174096 186.6
[M]+ 338.19888142 179.6
[M]- 338.19997858 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