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]+ 335.19655 179.5
[M+Na]+ 357.17849 180.6
[M-H]- 333.18199 183.2
[M+NH4]+ 352.22309 191.2
[M+K]+ 373.15243 178.0
[M+H-H2O]+ 317.18653 170.9
[M+HCOO]- 379.18747 197.9
[M+CH3COO]- 393.20312 212.4
[M+Na-2H]- 355.16394 179.3
[M]+ 334.18872 176.1
[M]- 334.18982 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.