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 180.9
[M+Na]+ 328.22469 183.1
[M-H]- 304.22819 184.1
[M+NH4]+ 323.26929 195.9
[M+K]+ 344.19863 181.4
[M+H-H2O]+ 288.23273 172.6
[M+HCOO]- 350.23367 202.3
[M+CH3COO]- 364.24932 213.8
[M+Na-2H]- 326.21014 180.6
[M]+ 305.23492 185.8
[M]- 305.23602 185.8
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.