CID 49618

3-(diethylamino)propyl 2-phenylhexanoate

Structural Information

Molecular Formula
C19H31NO2
SMILES
CCCCC(C1=CC=CC=C1)C(=O)OCCCN(CC)CC
InChI
InChI=1S/C19H31NO2/c1-4-7-14-18(17-12-9-8-10-13-17)19(21)22-16-11-15-20(5-2)6-3/h8-10,12-13,18H,4-7,11,14-16H2,1-3H3
InChIKey
SDPKHSVTANWCCH-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 2-phenylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.23547 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.24275 178.9
[M+Na]+ 328.22469 188.1
[M+NH4]+ 323.26929 185.4
[M+K]+ 344.19863 181.1
[M-H]- 304.22819 180.7
[M+Na-2H]- 326.21014 183.1
[M]+ 305.23492 180.5
[M]- 305.23602 180.5
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.