CID 3044601

57537-04-9

Structural Information

Molecular Formula
C17H19N3
SMILES
C1CN(CCN1CCC#N)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H19N3/c18-8-3-9-19-10-12-20(13-11-19)17-7-6-15-4-1-2-5-16(15)14-17/h1-2,4-7,14H,3,9-13H2
InChIKey
FHNHWQLPUDGKFF-UHFFFAOYSA-N
Compound name
3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1579 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 161.8
[M+Na]+ 288.14712 169.8
[M-H]- 264.15062 163.6
[M+NH4]+ 283.19172 174.3
[M+K]+ 304.12106 161.7
[M+H-H2O]+ 248.15516 145.5
[M+HCOO]- 310.15610 174.6
[M+CH3COO]- 324.17175 170.2
[M+Na-2H]- 286.13257 166.3
[M]+ 265.15735 152.9
[M]- 265.15845 152.9
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.