CID 102637

1505-96-0

Structural Information

Molecular Formula
C22H30N2O
SMILES
CC(C)C(CCN1CCCCC1)(C2=CC=CC3=CC=CC=C32)C(=O)N
InChI
InChI=1S/C22H30N2O/c1-17(2)22(21(23)25,13-16-24-14-6-3-7-15-24)20-12-8-10-18-9-4-5-11-19(18)20/h4-5,8-12,17H,3,6-7,13-16H2,1-2H3,(H2,23,25)
InChIKey
RTNXNRZZXYBWJZ-UHFFFAOYSA-N
Compound name
3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.2358 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.24308 185.1
[M+Na]+ 361.22502 186.4
[M-H]- 337.22852 188.5
[M+NH4]+ 356.26962 196.7
[M+K]+ 377.19896 181.6
[M+H-H2O]+ 321.23306 175.8
[M+HCOO]- 383.23400 197.9
[M+CH3COO]- 397.24965 216.0
[M+Na-2H]- 359.21047 186.3
[M]+ 338.23525 179.4
[M]- 338.23635 179.4
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

patents stripe