CID 26978

14938-54-6

Structural Information

Molecular Formula
C23H31NO2
SMILES
CC(C)C(CCCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)OCC=C
InChI
InChI=1S/C23H31NO2/c1-6-17-26-22(25)23(18(2)3,15-10-16-24(4)5)21-14-9-12-19-11-7-8-13-20(19)21/h6-9,11-14,18H,1,10,15-17H2,2-5H3
InChIKey
JSQUVMGQWRQVRI-UHFFFAOYSA-N
Compound name
prop-2-enyl 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.23547 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.242746 190.9
[M+Na]+ 376.224688 194.1
[M-H]- 352.228194 195.2
[M+NH4]+ 371.269293 205.0
[M+K]+ 392.198628 191.0
[M+H-H2O]+ 336.232730 182.9
[M+HCOO]- 398.233671 209.2
[M+CH3COO]- 412.249321 223.9
[M+Na-2H]- 374.210136 192.1
[M]+ 353.23492142 195.0
[M]- 353.23601858 195.0
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.