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

73
Patents

327.06622 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07350 171.9
[M+Na]+ 350.05544 181.1
[M-H]- 326.05894 176.8
[M+NH4]+ 345.10004 185.5
[M+K]+ 366.02938 174.2
[M+H-H2O]+ 310.06348 163.7
[M+HCOO]- 372.06442 187.1
[M+CH3COO]- 386.08007 204.5
[M+Na-2H]- 348.04089 176.8
[M]+ 327.06567 175.4
[M]- 327.06677 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