CID 203142

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

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CCOC(=O)C1=C(C=C(C=C1)NC(=O)CCNCC2=CC=CC=C2)O
InChI
InChI=1S/C19H22N2O4/c1-2-25-19(24)16-9-8-15(12-17(16)22)21-18(23)10-11-20-13-14-6-4-3-5-7-14/h3-9,12,20,22H,2,10-11,13H2,1H3,(H,21,23)
InChIKey
ZTNULMAZFZXJSB-UHFFFAOYSA-N
Compound name
ethyl 4-[3-(benzylamino)propanoylamino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.15796 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 181.2
[M+Na]+ 365.14718 184.9
[M-H]- 341.15068 186.0
[M+NH4]+ 360.19178 192.8
[M+K]+ 381.12112 181.5
[M+H-H2O]+ 325.15522 172.2
[M+HCOO]- 387.15616 203.6
[M+CH3COO]- 401.17181 214.2
[M+Na-2H]- 363.13263 183.2
[M]+ 342.15741 182.3
[M]- 342.15851 182.3
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.