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]+ 337.212176 182.9
[M+Na]+ 359.194118 183.7
[M-H]- 335.197624 185.5
[M+NH4]+ 354.238723 191.9
[M+K]+ 375.168058 182.2
[M+H-H2O]+ 319.202160 173.2
[M+HCOO]- 381.203101 197.8
[M+CH3COO]- 395.218751 210.0
[M+Na-2H]- 357.179566 183.6
[M]+ 336.20435142 181.7
[M]- 336.20544858 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.