CID 203268

Salicylic acid, 4-(3-(isopropylamino)propionamido)-, methyl ester, monohydrochloride

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CC(C)NCCC(=O)NC1=CC(=C(C=C1)C(=O)OC)O
InChI
InChI=1S/C14H20N2O4/c1-9(2)15-7-6-13(18)16-10-4-5-11(12(17)8-10)14(19)20-3/h4-5,8-9,15,17H,6-7H2,1-3H3,(H,16,18)
InChIKey
QRUJPVWHRACOPH-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1423 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 165.7
[M+Na]+ 303.13152 170.2
[M-H]- 279.13502 167.8
[M+NH4]+ 298.17612 180.3
[M+K]+ 319.10546 168.9
[M+H-H2O]+ 263.13956 158.5
[M+HCOO]- 325.14050 187.4
[M+CH3COO]- 339.15615 204.3
[M+Na-2H]- 301.11697 166.3
[M]+ 280.14175 167.0
[M]- 280.14285 167.0
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.