CID 203188

Salicylic acid, 4-(3-morpholinopropionamido)-, hexyl ester, hydrochloride

Structural Information

Molecular Formula
C20H30N2O5
SMILES
CCCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCOCC2)O
InChI
InChI=1S/C20H30N2O5/c1-2-3-4-5-12-27-20(25)17-7-6-16(15-18(17)23)21-19(24)8-9-22-10-13-26-14-11-22/h6-7,15,23H,2-5,8-14H2,1H3,(H,21,24)
InChIKey
ZJLOLWDIJXODQP-UHFFFAOYSA-N
Compound name
hexyl 2-hydroxy-4-(3-morpholin-4-ylpropanoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.21548 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.22276 193.5
[M+Na]+ 401.20470 201.4
[M+NH4]+ 396.24930 197.3
[M+K]+ 417.17864 196.7
[M-H]- 377.20820 195.6
[M+Na-2H]- 399.19015 195.4
[M]+ 378.21493 194.7
[M]- 378.21603 194.7
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.