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]+ 351.22783 188.0
[M+Na]+ 373.20977 194.6
[M+NH4]+ 368.25437 191.8
[M+K]+ 389.18371 190.1
[M-H]- 349.21327 187.8
[M+Na-2H]- 371.19522 189.2
[M]+ 350.22000 188.3
[M]- 350.22110 188.3
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.