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 188.3
[M+Na]+ 373.20977 190.6
[M-H]- 349.21327 189.4
[M+NH4]+ 368.25437 200.0
[M+K]+ 389.18371 188.2
[M+H-H2O]+ 333.21781 180.2
[M+HCOO]- 395.21875 208.3
[M+CH3COO]- 409.23440 219.2
[M+Na-2H]- 371.19522 186.3
[M]+ 350.22000 191.4
[M]- 350.22110 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.