CID 10903550

5-(2-chloroacetyl)-8-phenylmethoxy-1h-quinolin-2-one

Structural Information

Molecular Formula
C18H14ClNO3
SMILES
C1=CC=C(C=C1)COC2=C3C(=C(C=C2)C(=O)CCl)C=CC(=O)N3
InChI
InChI=1S/C18H14ClNO3/c19-10-15(21)13-6-8-16(18-14(13)7-9-17(22)20-18)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,22)
InChIKey
AUFKEUKWVZCLQD-UHFFFAOYSA-N
Compound name
5-(2-chloroacetyl)-8-phenylmethoxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

327.06622 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.073496 171.9
[M+Na]+ 350.055438 181.1
[M-H]- 326.058944 176.8
[M+NH4]+ 345.100043 185.5
[M+K]+ 366.029378 174.2
[M+H-H2O]+ 310.063480 163.7
[M+HCOO]- 372.064421 187.1
[M+CH3COO]- 386.080071 204.5
[M+Na-2H]- 348.040886 176.8
[M]+ 327.06567142 175.4
[M]- 327.06676858 175.4
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

patents stripe