CID 203215

Salicylic acid, 4-(2-(dimethylamino)acetamido)-, methyl ester, hydrochloride

Structural Information

Molecular Formula
C12H16N2O4
SMILES
CN(C)CC(=O)NC1=CC(=C(C=C1)C(=O)OC)O
InChI
InChI=1S/C12H16N2O4/c1-14(2)7-11(16)13-8-4-5-9(10(15)6-8)12(17)18-3/h4-6,15H,7H2,1-3H3,(H,13,16)
InChIKey
MJDOMEAXCLMYBH-UHFFFAOYSA-N
Compound name
methyl 4-[[2-(dimethylamino)acetyl]amino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.118286 156.1
[M+Na]+ 275.100228 161.9
[M-H]- 251.103734 159.9
[M+NH4]+ 270.144833 172.6
[M+K]+ 291.074168 161.9
[M+H-H2O]+ 235.108270 149.0
[M+HCOO]- 297.109211 179.9
[M+CH3COO]- 311.124861 200.6
[M+Na-2H]- 273.085676 158.2
[M]+ 252.11046142 158.6
[M]- 252.11155858 158.6
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.