CID 616488

3-methyl-4-phenyl-1,2-dihydroquinolin-2-one

Structural Information

Molecular Formula
C16H13NO
SMILES
CC1=C(C2=CC=CC=C2NC1=O)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO/c1-11-15(12-7-3-2-4-8-12)13-9-5-6-10-14(13)17-16(11)18/h2-10H,1H3,(H,17,18)
InChIKey
WRXGEZLZGNKKGJ-UHFFFAOYSA-N
Compound name
3-methyl-4-phenyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

235.09972 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10700 151.6
[M+Na]+ 258.08894 161.4
[M-H]- 234.09244 157.1
[M+NH4]+ 253.13354 168.5
[M+K]+ 274.06288 155.2
[M+H-H2O]+ 218.09698 143.6
[M+HCOO]- 280.09792 172.6
[M+CH3COO]- 294.11357 164.2
[M+Na-2H]- 256.07439 159.2
[M]+ 235.09917 150.6
[M]- 235.10027 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe