CID 203172

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

Structural Information

Molecular Formula
C19H30N2O4
SMILES
CCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN(CC)CC)O
InChI
InChI=1S/C19H30N2O4/c1-4-7-8-13-25-19(24)16-10-9-15(14-17(16)22)20-18(23)11-12-21(5-2)6-3/h9-10,14,22H,4-8,11-13H2,1-3H3,(H,20,23)
InChIKey
PRTMMVURFDMQCJ-UHFFFAOYSA-N
Compound name
pentyl 4-[3-(diethylamino)propanoylamino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.22055 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.227826 188.2
[M+Na]+ 373.209768 190.9
[M-H]- 349.213274 190.7
[M+NH4]+ 368.254373 200.7
[M+K]+ 389.183708 189.4
[M+H-H2O]+ 333.217810 179.8
[M+HCOO]- 395.218751 209.7
[M+CH3COO]- 409.234401 221.5
[M+Na-2H]- 371.195216 186.7
[M]+ 350.22000142 193.2
[M]- 350.22109858 193.2
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.