CID 57894

100482-38-0

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CCCNC1=CC=C(C=C1)C(=O)OCC(CN2CCOCC2)O
InChI
InChI=1S/C17H26N2O4/c1-2-7-18-15-5-3-14(4-6-15)17(21)23-13-16(20)12-19-8-10-22-11-9-19/h3-6,16,18,20H,2,7-13H2,1H3
InChIKey
ZFDVEMCSXTWGNQ-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-morpholin-4-ylpropyl) 4-(propylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.18927 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.196546 178.4
[M+Na]+ 345.178488 179.7
[M-H]- 321.181994 181.2
[M+NH4]+ 340.223093 188.0
[M+K]+ 361.152428 178.4
[M+H-H2O]+ 305.186530 169.0
[M+HCOO]- 367.187471 193.7
[M+CH3COO]- 381.203121 207.0
[M+Na-2H]- 343.163936 179.7
[M]+ 322.18872142 176.9
[M]- 322.18981858 176.9
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.