CID 203266

Salicylic acid, 4-(3-(diethylamino)propionamido)-, methyl ester, hydrochloride

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CCN(CC)CCC(=O)NC1=CC(=C(C=C1)C(=O)OC)O
InChI
InChI=1S/C15H22N2O4/c1-4-17(5-2)9-8-14(19)16-11-6-7-12(13(18)10-11)15(20)21-3/h6-7,10,18H,4-5,8-9H2,1-3H3,(H,16,19)
InChIKey
HCSDGSDQPRRPQV-UHFFFAOYSA-N
Compound name
methyl 4-[3-(diethylamino)propanoylamino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.15796 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 170.1
[M+Na]+ 317.14718 178.1
[M+NH4]+ 312.19178 174.9
[M+K]+ 333.12112 174.2
[M-H]- 293.15068 170.5
[M+Na-2H]- 315.13263 172.9
[M]+ 294.15741 170.8
[M]- 294.15851 170.8
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.