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]+ 306.242746 180.9
[M+Na]+ 328.224688 183.1
[M-H]- 304.228194 184.1
[M+NH4]+ 323.269293 195.9
[M+K]+ 344.198628 181.4
[M+H-H2O]+ 288.232730 172.6
[M+HCOO]- 350.233671 202.3
[M+CH3COO]- 364.249321 213.8
[M+Na-2H]- 326.210136 180.6
[M]+ 305.23492142 185.8
[M]- 305.23601858 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.