CID 203217

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

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(C)NCC(=O)NC1=CC(=C(C=C1)C(=O)OC)O
InChI
InChI=1S/C13H18N2O4/c1-8(2)14-7-12(17)15-9-4-5-10(11(16)6-9)13(18)19-3/h4-6,8,14,16H,7H2,1-3H3,(H,15,17)
InChIKey
MOSBJFIPVUTSDQ-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-4-[[2-(propan-2-ylamino)acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 161.1
[M+Na]+ 289.11587 166.1
[M-H]- 265.11937 163.4
[M+NH4]+ 284.16047 176.3
[M+K]+ 305.08981 165.0
[M+H-H2O]+ 249.12391 154.1
[M+HCOO]- 311.12485 183.1
[M+CH3COO]- 325.14050 201.3
[M+Na-2H]- 287.10132 162.2
[M]+ 266.12610 162.1
[M]- 266.12720 162.1
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.