CID 203184

Salicylic acid, 4-(3-(isopropylamino)propionamido)-, hexyl ester, hydrochloride

Structural Information

Molecular Formula
C19H30N2O4
SMILES
CCCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCNC(C)C)O
InChI
InChI=1S/C19H30N2O4/c1-4-5-6-7-12-25-19(24)16-9-8-15(13-17(16)22)21-18(23)10-11-20-14(2)3/h8-9,13-14,20,22H,4-7,10-12H2,1-3H3,(H,21,23)
InChIKey
LHWSTWOFGBCLCO-UHFFFAOYSA-N
Compound name
hexyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.22055 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.227826 188.3
[M+Na]+ 373.209768 190.6
[M-H]- 349.213274 189.4
[M+NH4]+ 368.254373 200.0
[M+K]+ 389.183708 188.2
[M+H-H2O]+ 333.217810 180.2
[M+HCOO]- 395.218751 208.3
[M+CH3COO]- 409.234401 219.2
[M+Na-2H]- 371.195216 186.3
[M]+ 350.22000142 191.4
[M]- 350.22109858 191.4
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.