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]+ 379.222756 193.5
[M+Na]+ 401.204698 194.6
[M-H]- 377.208204 196.2
[M+NH4]+ 396.249303 201.0
[M+K]+ 417.178638 192.8
[M+H-H2O]+ 361.212740 183.6
[M+HCOO]- 423.213681 208.2
[M+CH3COO]- 437.229331 218.1
[M+Na-2H]- 399.190146 192.7
[M]+ 378.21493142 194.1
[M]- 378.21602858 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.