CID 32172

23966-68-9

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]+ 338.196206 181.4
[M+Na]+ 360.178148 184.6
[M-H]- 336.181654 185.8
[M+NH4]+ 355.222753 191.8
[M+K]+ 376.152088 184.1
[M+H-H2O]+ 320.186190 171.7
[M+HCOO]- 382.187131 198.0
[M+CH3COO]- 396.202781 209.7
[M+Na-2H]- 358.163596 182.7
[M]+ 337.18838142 185.2
[M]- 337.18947858 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.