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]+ 341.164836 182.6
[M+Na]+ 363.146778 190.8
[M-H]- 339.150284 191.8
[M+NH4]+ 358.191383 194.9
[M+K]+ 379.120718 183.3
[M+H-H2O]+ 323.154820 171.5
[M+HCOO]- 385.155761 204.6
[M+CH3COO]- 399.171411 193.1
[M+Na-2H]- 361.132226 188.7
[M]+ 340.15701142 182.5
[M]- 340.15810858 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.