CID 203203

Salicylic acid, 4-(3-(cyclohexylamino)propionamido)-, methyl ester, monohydrochloride

Structural Information

Molecular Formula
C17H24N2O4
SMILES
COC(=O)C1=C(C=C(C=C1)NC(=O)CCNC2CCCCC2)O
InChI
InChI=1S/C17H24N2O4/c1-23-17(22)14-8-7-13(11-15(14)20)19-16(21)9-10-18-12-5-3-2-4-6-12/h7-8,11-12,18,20H,2-6,9-10H2,1H3,(H,19,21)
InChIKey
WIWUJKSFQJXDTI-UHFFFAOYSA-N
Compound name
methyl 4-[3-(cyclohexylamino)propanoylamino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1736 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18088 176.7
[M+Na]+ 343.16282 184.3
[M+NH4]+ 338.20742 182.1
[M+K]+ 359.13676 179.6
[M-H]- 319.16632 179.2
[M+Na-2H]- 341.14827 180.5
[M]+ 320.17305 177.9
[M]- 320.17415 177.9
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.