CID 3547923

Oprea1_378597

Structural Information

Molecular Formula
C20H24N4
SMILES
C1CN(CCC1(C#N)NC2=CC=CC(=C2)N)CCC3=CC=CC=C3
InChI
InChI=1S/C20H24N4/c21-16-20(23-19-8-4-7-18(22)15-19)10-13-24(14-11-20)12-9-17-5-2-1-3-6-17/h1-8,15,23H,9-14,22H2
InChIKey
RFCBQHYUXGHZQT-UHFFFAOYSA-N
Compound name
4-(3-aminoanilino)-1-(2-phenylethyl)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.2001 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20738 181.0
[M+Na]+ 343.18932 187.5
[M-H]- 319.19282 185.6
[M+NH4]+ 338.23392 192.6
[M+K]+ 359.16326 178.9
[M+H-H2O]+ 303.19736 164.7
[M+HCOO]- 365.19830 196.8
[M+CH3COO]- 379.21395 188.2
[M+Na-2H]- 341.17477 184.0
[M]+ 320.19955 169.7
[M]- 320.20065 169.7
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.