CID 454648

3-[(4-aminophenyl)methyl]-1-phenyl-3-(4-pyridylmethyl)indolin-2-one

Structural Information

Molecular Formula
C27H23N3O
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=C(C=C4)N)CC5=CC=NC=C5
InChI
InChI=1S/C27H23N3O/c28-22-12-10-20(11-13-22)18-27(19-21-14-16-29-17-15-21)24-8-4-5-9-25(24)30(26(27)31)23-6-2-1-3-7-23/h1-17H,18-19,28H2
InChIKey
DQDMKBQJJVHCMQ-UHFFFAOYSA-N
Compound name
3-[(4-aminophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

405.1841 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.19138 201.2
[M+Na]+ 428.17332 208.9
[M-H]- 404.17682 211.7
[M+NH4]+ 423.21792 212.4
[M+K]+ 444.14726 200.0
[M+H-H2O]+ 388.18136 188.5
[M+HCOO]- 450.18230 220.6
[M+CH3COO]- 464.19795 210.0
[M+Na-2H]- 426.15877 203.5
[M]+ 405.18355 199.2
[M]- 405.18465 199.2
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.