CID 300091

Nsc174191

Structural Information

Molecular Formula
C19H14ClNO2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CC(=O)CC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H14ClNO2/c20-15-8-5-14(6-9-15)19(23)12-17(22)11-16-10-7-13-3-1-2-4-18(13)21-16/h1-10H,11-12H2
InChIKey
PWZYXHHXUXKCRA-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-quinolin-2-ylbutane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.07132 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.07860 172.8
[M+Na]+ 346.06054 181.0
[M-H]- 322.06404 178.6
[M+NH4]+ 341.10514 186.9
[M+K]+ 362.03448 174.4
[M+H-H2O]+ 306.06858 164.2
[M+HCOO]- 368.06952 188.0
[M+CH3COO]- 382.08517 183.6
[M+Na-2H]- 344.04599 177.1
[M]+ 323.07077 176.0
[M]- 323.07187 176.0
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.