CID 25874

13326-36-8

Structural Information

Molecular Formula
C23H30N2
SMILES
CC(C)C(CCCN1CCCCC1)(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H30N2/c1-19(2)23(18-24,14-9-17-25-15-6-3-7-16-25)22-13-8-11-20-10-4-5-12-21(20)22/h4-5,8,10-13,19H,3,6-7,9,14-17H2,1-2H3
InChIKey
PSHNFVQADQZHDI-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-5-piperidin-1-yl-2-propan-2-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2409 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.248176 187.7
[M+Na]+ 357.230118 192.9
[M-H]- 333.233624 190.1
[M+NH4]+ 352.274723 198.8
[M+K]+ 373.204058 184.2
[M+H-H2O]+ 317.238160 172.0
[M+HCOO]- 379.239101 197.6
[M+CH3COO]- 393.254751 222.5
[M+Na-2H]- 355.215566 189.1
[M]+ 334.24035142 178.8
[M]- 334.24144858 178.8
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.