CID 203174

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

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCNC(C)C)O
InChI
InChI=1S/C18H28N2O4/c1-4-5-6-11-24-18(23)15-8-7-14(12-16(15)21)20-17(22)9-10-19-13(2)3/h7-8,12-13,19,21H,4-6,9-11H2,1-3H3,(H,20,22)
InChIKey
OENXTWTVLXXHRJ-UHFFFAOYSA-N
Compound name
pentyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2049 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 183.7
[M+Na]+ 359.19412 190.4
[M+NH4]+ 354.23872 187.6
[M+K]+ 375.16806 186.2
[M-H]- 335.19762 183.4
[M+Na-2H]- 357.17957 185.1
[M]+ 336.20435 183.9
[M]- 336.20545 183.9
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.