CID 828001

61085-36-7

Structural Information

Molecular Formula
C20H23N3
SMILES
C1CN(CCC1(C#N)NC2=CC=CC=C2)CCC3=CC=CC=C3
InChI
InChI=1S/C20H23N3/c21-17-20(22-19-9-5-2-6-10-19)12-15-23(16-13-20)14-11-18-7-3-1-4-8-18/h1-10,22H,11-16H2
InChIKey
VWCPMNASPOCMNY-UHFFFAOYSA-N
Compound name
4-anilino-1-(2-phenylethyl)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

12
Patents

305.1892 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19648 176.5
[M+Na]+ 328.17842 183.1
[M-H]- 304.18192 181.3
[M+NH4]+ 323.22302 189.0
[M+K]+ 344.15236 174.3
[M+H-H2O]+ 288.18646 160.1
[M+HCOO]- 350.18740 192.1
[M+CH3COO]- 364.20305 184.2
[M+Na-2H]- 326.16387 180.6
[M]+ 305.18865 166.3
[M]- 305.18975 166.3
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