CID 202682

Salicylic acid, 4-(2-(diethylamino)acetamido)-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CCN(CC)CC(=O)NC1=CC(=C(C=C1)C(=O)OCC)O
InChI
InChI=1S/C15H22N2O4/c1-4-17(5-2)10-14(19)16-11-7-8-12(13(18)9-11)15(20)21-6-3/h7-9,18H,4-6,10H2,1-3H3,(H,16,19)
InChIKey
NGJPCLYUVXJYDZ-UHFFFAOYSA-N
Compound name
ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.15796 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 170.0
[M+Na]+ 317.14718 174.4
[M-H]- 293.15068 173.2
[M+NH4]+ 312.19178 184.7
[M+K]+ 333.12112 173.8
[M+H-H2O]+ 277.15522 162.3
[M+HCOO]- 339.15616 192.8
[M+CH3COO]- 353.17181 209.6
[M+Na-2H]- 315.13263 170.5
[M]+ 294.15741 173.5
[M]- 294.15851 173.5
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.