CID 3007419

108664-48-8

Structural Information

Molecular Formula
C19H14ClNO2
SMILES
C=C(CN1C(=O)C=CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H14ClNO2/c1-13(19(23)15-6-9-16(20)10-7-15)12-21-17-5-3-2-4-14(17)8-11-18(21)22/h2-11H,1,12H2
InChIKey
OSIKWOZVGVIBBT-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorobenzoyl)prop-2-enyl]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.07132 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.07860 171.9
[M+Na]+ 346.06054 181.3
[M-H]- 322.06404 178.1
[M+NH4]+ 341.10514 186.3
[M+K]+ 362.03448 174.2
[M+H-H2O]+ 306.06858 163.6
[M+HCOO]- 368.06952 187.3
[M+CH3COO]- 382.08517 207.9
[M+Na-2H]- 344.04599 175.5
[M]+ 323.07077 174.9
[M]- 323.07187 174.9
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.