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]+ 321.180876 175.1
[M+Na]+ 343.162818 176.7
[M-H]- 319.166324 179.0
[M+NH4]+ 338.207423 187.4
[M+K]+ 359.136758 174.3
[M+H-H2O]+ 303.170860 166.7
[M+HCOO]- 365.171801 193.9
[M+CH3COO]- 379.187451 209.4
[M+Na-2H]- 341.148266 175.4
[M]+ 320.17305142 171.4
[M]- 320.17414858 171.4
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.