CID 454633

2-indolinone 3(pyridme)1ph deriv.

Structural Information

Molecular Formula
C21H22N2O
SMILES
CN1CCC(=CC1)CC2C3=CC=CC=C3N(C2=O)C4=CC=CC=C4
InChI
InChI=1S/C21H22N2O/c1-22-13-11-16(12-14-22)15-19-18-9-5-6-10-20(18)23(21(19)24)17-7-3-2-4-8-17/h2-11,19H,12-15H2,1H3
InChIKey
WEYUBZBKTKONRB-UHFFFAOYSA-N
Compound name
3-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1-phenyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.17322 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 178.3
[M+Na]+ 341.16244 185.3
[M-H]- 317.16594 185.7
[M+NH4]+ 336.20704 192.4
[M+K]+ 357.13638 178.6
[M+H-H2O]+ 301.17048 167.9
[M+HCOO]- 363.17142 195.5
[M+CH3COO]- 377.18707 188.3
[M+Na-2H]- 339.14789 178.8
[M]+ 318.17267 175.5
[M]- 318.17377 175.5
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.