CID 203182

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

Structural Information

Molecular Formula
C20H32N2O4
SMILES
CCCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN(CC)CC)O
InChI
InChI=1S/C20H32N2O4/c1-4-7-8-9-14-26-20(25)17-11-10-16(15-18(17)23)21-19(24)12-13-22(5-2)6-3/h10-11,15,23H,4-9,12-14H2,1-3H3,(H,21,24)
InChIKey
LHTYALAIXZTRFI-UHFFFAOYSA-N
Compound name
hexyl 4-[3-(diethylamino)propanoylamino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2362 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.24348 192.7
[M+Na]+ 387.22542 195.0
[M-H]- 363.22892 195.0
[M+NH4]+ 382.27002 204.6
[M+K]+ 403.19936 193.2
[M+H-H2O]+ 347.23346 184.1
[M+HCOO]- 409.23440 213.8
[M+CH3COO]- 423.25005 224.5
[M+Na-2H]- 385.21087 190.7
[M]+ 364.23565 198.1
[M]- 364.23675 198.1
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.