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]+ 266.165176 161.8
[M+Na]+ 288.147118 169.8
[M-H]- 264.150624 163.6
[M+NH4]+ 283.191723 174.3
[M+K]+ 304.121058 161.7
[M+H-H2O]+ 248.155160 145.5
[M+HCOO]- 310.156101 174.6
[M+CH3COO]- 324.171751 170.2
[M+Na-2H]- 286.132566 166.3
[M]+ 265.15735142 152.9
[M]- 265.15844858 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.