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 175.1
[M+Na]+ 343.16282 176.7
[M-H]- 319.16632 179.0
[M+NH4]+ 338.20742 187.4
[M+K]+ 359.13676 174.3
[M+H-H2O]+ 303.17086 166.7
[M+HCOO]- 365.17180 193.9
[M+CH3COO]- 379.18745 209.4
[M+Na-2H]- 341.14827 175.4
[M]+ 320.17305 171.4
[M]- 320.17415 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.