CID 113722

63704-66-5

Structural Information

Molecular Formula
C23H30N2O
SMILES
CC(=CCC(CCN1CCCC1)(C2=CC=CC3=CC=CC=C32)C(=O)N)C
InChI
InChI=1S/C23H30N2O/c1-18(2)12-13-23(22(24)26,14-17-25-15-5-6-16-25)21-11-7-9-19-8-3-4-10-20(19)21/h3-4,7-12H,5-6,13-17H2,1-2H3,(H2,24,26)
InChIKey
HOCKJJPTFSEXEJ-UHFFFAOYSA-N
Compound name
5-methyl-2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)hex-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2358 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.24308 189.2
[M+Na]+ 373.22502 198.4
[M+NH4]+ 368.26962 196.1
[M+K]+ 389.19896 193.2
[M-H]- 349.22852 192.0
[M+Na-2H]- 371.21047 193.6
[M]+ 350.23525 191.1
[M]- 350.23635 191.1
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.