CID 99704

50765-91-8

Structural Information

Molecular Formula
C24H32N2O
SMILES
CC(=CCC(CCN1CCCCC1)(C2=CC=CC3=CC=CC=C32)C(=O)N)C
InChI
InChI=1S/C24H32N2O/c1-19(2)13-14-24(23(25)27,15-18-26-16-6-3-7-17-26)22-12-8-10-20-9-4-5-11-21(20)22/h4-5,8-13H,3,6-7,14-18H2,1-2H3,(H2,25,27)
InChIKey
DRQHMYYWGQFHOV-UHFFFAOYSA-N
Compound name
5-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)hex-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.25146 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.25874 193.2
[M+Na]+ 387.24068 194.0
[M-H]- 363.24418 196.2
[M+NH4]+ 382.28528 203.7
[M+K]+ 403.21462 188.1
[M+H-H2O]+ 347.24872 183.5
[M+HCOO]- 409.24966 205.5
[M+CH3COO]- 423.26531 220.5
[M+Na-2H]- 385.22613 193.3
[M]+ 364.25091 187.4
[M]- 364.25201 187.4
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

No patent data available for this compound.