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]+ 329.149576 176.8
[M+Na]+ 351.131518 180.9
[M-H]- 327.135024 181.7
[M+NH4]+ 346.176123 188.9
[M+K]+ 367.105458 177.7
[M+H-H2O]+ 311.139560 167.9
[M+HCOO]- 373.140501 199.5
[M+CH3COO]- 387.156151 211.2
[M+Na-2H]- 349.116966 179.3
[M]+ 328.14175142 177.5
[M]- 328.14284858 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.