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 190.4
[M+Na]+ 373.22502 192.6
[M-H]- 349.22852 194.3
[M+NH4]+ 368.26962 203.6
[M+K]+ 389.19896 186.8
[M+H-H2O]+ 333.23306 181.7
[M+HCOO]- 395.23400 205.4
[M+CH3COO]- 409.24965 216.9
[M+Na-2H]- 371.21047 189.3
[M]+ 350.23525 186.6
[M]- 350.23635 186.6
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.