CID 203262

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

Structural Information

Molecular Formula
C17H18N2O4
SMILES
COC(=O)C1=C(C=C(C=C1)NC(=O)CNCC2=CC=CC=C2)O
InChI
InChI=1S/C17H18N2O4/c1-23-17(22)14-8-7-13(9-15(14)20)19-16(21)11-18-10-12-5-3-2-4-6-12/h2-9,18,20H,10-11H2,1H3,(H,19,21)
InChIKey
LETXZGQOXHJIFN-UHFFFAOYSA-N
Compound name
methyl 4-[[2-(benzylamino)acetyl]amino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12665 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 172.3
[M+Na]+ 337.11587 176.8
[M-H]- 313.11937 177.4
[M+NH4]+ 332.16047 185.0
[M+K]+ 353.08981 173.8
[M+H-H2O]+ 297.12391 163.6
[M+HCOO]- 359.12485 195.3
[M+CH3COO]- 373.14050 208.2
[M+Na-2H]- 335.10132 175.3
[M]+ 314.12610 172.7
[M]- 314.12720 172.7
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.