CID 70412

4-anilino-1-benzylpiperidine-4-carbonitrile

Structural Information

Molecular Formula
C19H21N3
SMILES
C1CN(CCC1(C#N)NC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H21N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-15H2
InChIKey
AYYPQRMTCMCFSL-UHFFFAOYSA-N
Compound name
4-anilino-1-benzylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

60
Patents

291.17355 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.18083 172.9
[M+Na]+ 314.16277 179.9
[M-H]- 290.16627 177.9
[M+NH4]+ 309.20737 185.8
[M+K]+ 330.13671 171.3
[M+H-H2O]+ 274.17081 156.6
[M+HCOO]- 336.17175 188.7
[M+CH3COO]- 350.18740 180.9
[M+Na-2H]- 312.14822 177.4
[M]+ 291.17300 162.3
[M]- 291.17410 162.3
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