CID 54697318

3-(2-chlorobenzoyl)-6-hexyl-4-hydroxy-2(1h)-quinolinone

Structural Information

Molecular Formula
C22H22ClNO3
SMILES
CCCCCCC1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C22H22ClNO3/c1-2-3-4-5-8-14-11-12-18-16(13-14)21(26)19(22(27)24-18)20(25)15-9-6-7-10-17(15)23/h6-7,9-13H,2-5,8H2,1H3,(H2,24,26,27)
InChIKey
IXPKXYPVTOMPOX-UHFFFAOYSA-N
Compound name
3-(2-chlorobenzoyl)-6-hexyl-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1288 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13608 190.3
[M+Na]+ 406.11802 199.1
[M-H]- 382.12152 193.9
[M+NH4]+ 401.16262 201.5
[M+K]+ 422.09196 190.8
[M+H-H2O]+ 366.12606 182.1
[M+HCOO]- 428.12700 202.6
[M+CH3COO]- 442.14265 216.5
[M+Na-2H]- 404.10347 191.2
[M]+ 383.12825 194.2
[M]- 383.12935 194.2
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.