CID 70416

972-18-9

Structural Information

Molecular Formula
C20H23N3
SMILES
CC1=CC(=CC=C1)NC2(CCN(CC2)CC3=CC=CC=C3)C#N
InChI
InChI=1S/C20H23N3/c1-17-6-5-9-19(14-17)22-20(16-21)10-12-23(13-11-20)15-18-7-3-2-4-8-18/h2-9,14,22H,10-13,15H2,1H3
InChIKey
VRQNYTJDMMMAQU-UHFFFAOYSA-N
Compound name
1-benzyl-4-(3-methylanilino)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

19
Patents

305.1892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19648 176.9
[M+Na]+ 328.17842 184.3
[M-H]- 304.18192 182.1
[M+NH4]+ 323.22302 189.7
[M+K]+ 344.15236 175.6
[M+H-H2O]+ 288.18646 160.7
[M+HCOO]- 350.18740 192.5
[M+CH3COO]- 364.20305 184.9
[M+Na-2H]- 326.16387 180.3
[M]+ 305.18865 167.0
[M]- 305.18975 167.0
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