CID 10111431

302776-68-7

Structural Information

Molecular Formula
C24H31NO4
SMILES
CCCCCCOC(=O)C1=CC=CC=C1C(=O)C2=C(C=C(C=C2)N(CC)CC)O
InChI
InChI=1S/C24H31NO4/c1-4-7-8-11-16-29-24(28)20-13-10-9-12-19(20)23(27)21-15-14-18(17-22(21)26)25(5-2)6-3/h9-10,12-15,17,26H,4-8,11,16H2,1-3H3
InChIKey
FDATWRLUYRHCJE-UHFFFAOYSA-N
Compound name
hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

11
References

11603
Patents

397.2253 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.23258 200.1
[M+Na]+ 420.21452 203.5
[M-H]- 396.21802 205.7
[M+NH4]+ 415.25912 210.6
[M+K]+ 436.18846 200.3
[M+H-H2O]+ 380.22256 190.6
[M+HCOO]- 442.22350 220.2
[M+CH3COO]- 456.23915 228.8
[M+Na-2H]- 418.19997 197.5
[M]+ 397.22475 205.4
[M]- 397.22585 205.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe