CID 268301

Nsc108460

Structural Information

Molecular Formula
C23H20N2O
SMILES
CN1C2=CC=CC=C2C(=CC1=O)CNC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H20N2O/c1-25-22-10-6-5-9-21(22)19(15-23(25)26)16-24-20-13-11-18(12-14-20)17-7-3-2-4-8-17/h2-15,24H,16H2,1H3
InChIKey
ROGDGTGVOCQDAE-UHFFFAOYSA-N
Compound name
1-methyl-4-[(4-phenylanilino)methyl]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.15756 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16484 182.6
[M+Na]+ 363.14678 190.8
[M-H]- 339.15028 191.8
[M+NH4]+ 358.19138 194.9
[M+K]+ 379.12072 183.3
[M+H-H2O]+ 323.15482 171.5
[M+HCOO]- 385.15576 204.6
[M+CH3COO]- 399.17141 193.1
[M+Na-2H]- 361.13223 188.7
[M]+ 340.15701 182.5
[M]- 340.15811 182.5
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.