CID 57753

100311-24-8

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CCCCNC1=CC=C(C=C1)C(=O)OCC(CN2CCOCC2)O
InChI
InChI=1S/C18H28N2O4/c1-2-3-8-19-16-6-4-15(5-7-16)18(22)24-14-17(21)13-20-9-11-23-12-10-20/h4-7,17,19,21H,2-3,8-14H2,1H3
InChIKey
CYKODKFTSRUYPL-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-morpholin-4-ylpropyl) 4-(butylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2049 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 182.9
[M+Na]+ 359.19412 183.7
[M-H]- 335.19762 185.5
[M+NH4]+ 354.23872 191.9
[M+K]+ 375.16806 182.2
[M+H-H2O]+ 319.20216 173.2
[M+HCOO]- 381.20310 197.8
[M+CH3COO]- 395.21875 210.0
[M+Na-2H]- 357.17957 183.6
[M]+ 336.20435 181.7
[M]- 336.20545 181.7
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.