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]+ 335.24818 187.7
[M+Na]+ 357.23012 192.9
[M-H]- 333.23362 190.1
[M+NH4]+ 352.27472 198.8
[M+K]+ 373.20406 184.2
[M+H-H2O]+ 317.23816 172.0
[M+HCOO]- 379.23910 197.6
[M+CH3COO]- 393.25475 222.5
[M+Na-2H]- 355.21557 189.1
[M]+ 334.24035 178.8
[M]- 334.24145 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.