CID 203272

Salicylic acid, 4-(2-(benzylamino)acetamido)-, ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C18H20N2O4
SMILES
CCOC(=O)C1=C(C=C(C=C1)NC(=O)CNCC2=CC=CC=C2)O
InChI
InChI=1S/C18H20N2O4/c1-2-24-18(23)15-9-8-14(10-16(15)21)20-17(22)12-19-11-13-6-4-3-5-7-13/h3-10,19,21H,2,11-12H2,1H3,(H,20,22)
InChIKey
JDCRDBBRKKKVRM-UHFFFAOYSA-N
Compound name
ethyl 4-[[2-(benzylamino)acetyl]amino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1423 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14958 176.8
[M+Na]+ 351.13152 180.9
[M-H]- 327.13502 181.7
[M+NH4]+ 346.17612 188.9
[M+K]+ 367.10546 177.7
[M+H-H2O]+ 311.13956 167.9
[M+HCOO]- 373.14050 199.5
[M+CH3COO]- 387.15615 211.2
[M+Na-2H]- 349.11697 179.3
[M]+ 328.14175 177.5
[M]- 328.14285 177.5
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.