CID 32172

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

Structural Information

Molecular Formula
C18H27NO5
SMILES
CCCCOC1=C(C=CC=C1OC)C(=O)OCCN2CCOCC2
InChI
InChI=1S/C18H27NO5/c1-3-4-11-23-17-15(6-5-7-16(17)21-2)18(20)24-14-10-19-8-12-22-13-9-19/h5-7H,3-4,8-14H2,1-2H3
InChIKey
IAQWDGWSVMIIMO-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-butoxy-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18893 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19621 181.4
[M+Na]+ 360.17815 184.6
[M-H]- 336.18165 185.8
[M+NH4]+ 355.22275 191.8
[M+K]+ 376.15209 184.1
[M+H-H2O]+ 320.18619 171.7
[M+HCOO]- 382.18713 198.0
[M+CH3COO]- 396.20278 209.7
[M+Na-2H]- 358.16360 182.7
[M]+ 337.18838 185.2
[M]- 337.18948 185.2
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.