CID 37070

(o-methoxyphenoxy)acetic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C15H23NO4
SMILES
CCN(CC)CCOC(=O)COC1=CC=CC=C1OC
InChI
InChI=1S/C15H23NO4/c1-4-16(5-2)10-11-19-15(17)12-20-14-9-7-6-8-13(14)18-3/h6-9H,4-5,10-12H2,1-3H3
InChIKey
BSNDMGVHCLHZNT-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(2-methoxyphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16272 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17000 167.0
[M+Na]+ 304.15194 171.8
[M-H]- 280.15544 171.3
[M+NH4]+ 299.19654 183.2
[M+K]+ 320.12588 171.9
[M+H-H2O]+ 264.15998 159.1
[M+HCOO]- 326.16092 191.2
[M+CH3COO]- 340.17657 206.3
[M+Na-2H]- 302.13739 169.6
[M]+ 281.16217 174.3
[M]- 281.16327 174.3
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.