CID 3062467

3116 i.s.

Structural Information

Molecular Formula
C21H26N2O
SMILES
C1CN(CCC1(C=O)C2=CC=CC=C2)CCNCC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O/c24-18-21(20-9-5-2-6-10-20)11-14-23(15-12-21)16-13-22-17-19-7-3-1-4-8-19/h1-10,18,22H,11-17H2
InChIKey
GWXMNOCWNWMXNI-UHFFFAOYSA-N
Compound name
1-[2-(benzylamino)ethyl]-4-phenylpiperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 179.5
[M+Na]+ 345.19372 182.5
[M-H]- 321.19722 186.1
[M+NH4]+ 340.23832 192.8
[M+K]+ 361.16766 176.9
[M+H-H2O]+ 305.20176 168.8
[M+HCOO]- 367.20270 198.6
[M+CH3COO]- 381.21835 209.3
[M+Na-2H]- 343.17917 184.0
[M]+ 322.20395 175.1
[M]- 322.20505 175.1
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

No patent data available for this compound.