CID 203205

Salicylic acid, 4-(2-(dimethylamino)acetamido)-, ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CCOC(=O)C1=C(C=C(C=C1)NC(=O)CN(C)C)O
InChI
InChI=1S/C13H18N2O4/c1-4-19-13(18)10-6-5-9(7-11(10)16)14-12(17)8-15(2)3/h5-7,16H,4,8H2,1-3H3,(H,14,17)
InChIKey
DOYFHDINZSAJBJ-UHFFFAOYSA-N
Compound name
ethyl 4-[[2-(dimethylamino)acetyl]amino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 160.7
[M+Na]+ 289.115868 166.1
[M-H]- 265.119374 164.4
[M+NH4]+ 284.160473 176.6
[M+K]+ 305.089808 165.9
[M+H-H2O]+ 249.123910 153.5
[M+HCOO]- 311.124851 184.2
[M+CH3COO]- 325.140501 203.6
[M+Na-2H]- 287.101316 162.3
[M]+ 266.12610142 163.6
[M]- 266.12719858 163.6
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.