CID 57894

Benzoic acid, p-(propylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride

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]+ 323.19655 178.4
[M+Na]+ 345.17849 179.7
[M-H]- 321.18199 181.2
[M+NH4]+ 340.22309 188.0
[M+K]+ 361.15243 178.4
[M+H-H2O]+ 305.18653 169.0
[M+HCOO]- 367.18747 193.7
[M+CH3COO]- 381.20312 207.0
[M+Na-2H]- 343.16394 179.7
[M]+ 322.18872 176.9
[M]- 322.18982 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.