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]+ 337.212176 183.8
[M+Na]+ 359.194118 186.6
[M-H]- 335.197624 185.1
[M+NH4]+ 354.238723 196.1
[M+K]+ 375.168058 184.4
[M+H-H2O]+ 319.202160 175.9
[M+HCOO]- 381.203101 204.1
[M+CH3COO]- 395.218751 216.2
[M+Na-2H]- 357.179566 182.3
[M]+ 336.20435142 186.6
[M]- 336.20544858 186.6
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.