CID 31488

2-ethoxy-3-methoxybenzoic acid 2-morpholinoethyl ester hydrochloride

Structural Information

Molecular Formula
C16H23NO5
SMILES
CCOC1=C(C=CC=C1OC)C(=O)OCCN2CCOCC2
InChI
InChI=1S/C16H23NO5/c1-3-21-15-13(5-4-6-14(15)19-2)16(18)22-12-9-17-7-10-20-11-8-17/h4-6H,3,7-12H2,1-2H3
InChIKey
KFXNMEAFPHJPPL-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15762 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16490 172.2
[M+Na]+ 332.14684 176.4
[M-H]- 308.15034 177.0
[M+NH4]+ 327.19144 183.8
[M+K]+ 348.12078 176.3
[M+H-H2O]+ 292.15488 163.0
[M+HCOO]- 354.15582 189.6
[M+CH3COO]- 368.17147 203.8
[M+Na-2H]- 330.13229 174.6
[M]+ 309.15707 175.4
[M]- 309.15817 175.4
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.