CID 32168

3-methoxy-2-propoxybenzoic acid 2-morpholinoethyl ester hydrochloride

Structural Information

Molecular Formula
C17H25NO5
SMILES
CCCOC1=C(C=CC=C1OC)C(=O)OCCN2CCOCC2
InChI
InChI=1S/C17H25NO5/c1-3-10-22-16-14(5-4-6-15(16)20-2)17(19)23-13-9-18-7-11-21-12-8-18/h4-6H,3,7-13H2,1-2H3
InChIKey
DICQHQSOACBFJG-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 3-methoxy-2-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.17328 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.18056 176.8
[M+Na]+ 346.16250 180.5
[M-H]- 322.16600 181.4
[M+NH4]+ 341.20710 187.8
[M+K]+ 362.13644 180.2
[M+H-H2O]+ 306.17054 167.4
[M+HCOO]- 368.17148 193.8
[M+CH3COO]- 382.18713 206.7
[M+Na-2H]- 344.14795 178.6
[M]+ 323.17273 180.3
[M]- 323.17383 180.3
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.