CID 203144

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

Structural Information

Molecular Formula
C18H26N2O4
SMILES
CCOC(=O)C1=C(C=C(C=C1)NC(=O)CCNC2CCCCC2)O
InChI
InChI=1S/C18H26N2O4/c1-2-24-18(23)15-9-8-14(12-16(15)21)20-17(22)10-11-19-13-6-4-3-5-7-13/h8-9,12-13,19,21H,2-7,10-11H2,1H3,(H,20,22)
InChIKey
CHGLTYFVDBFVJN-UHFFFAOYSA-N
Compound name
ethyl 4-[3-(cyclohexylamino)propanoylamino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.18927 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.196546 179.5
[M+Na]+ 357.178488 180.6
[M-H]- 333.181994 183.2
[M+NH4]+ 352.223093 191.2
[M+K]+ 373.152428 178.0
[M+H-H2O]+ 317.186530 170.9
[M+HCOO]- 379.187471 197.9
[M+CH3COO]- 393.203121 212.4
[M+Na-2H]- 355.163936 179.3
[M]+ 334.18872142 176.1
[M]- 334.18981858 176.1
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.