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 194.6
[M-H]- 377.20820 196.2
[M+NH4]+ 396.24930 201.0
[M+K]+ 417.17864 192.8
[M+H-H2O]+ 361.21274 183.6
[M+HCOO]- 423.21368 208.2
[M+CH3COO]- 437.22933 218.1
[M+Na-2H]- 399.19015 192.7
[M]+ 378.21493 194.1
[M]- 378.21603 194.1
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.