CID 54718

5-acetyl-3,3-diphenyl-1-(morpholinomethyl)-2-indolinone

Structural Information

Molecular Formula
C27H26N2O3
SMILES
CC(=O)C1=CC2=C(C=C1)N(C(=O)C2(C3=CC=CC=C3)C4=CC=CC=C4)CN5CCOCC5
InChI
InChI=1S/C27H26N2O3/c1-20(30)21-12-13-25-24(18-21)27(22-8-4-2-5-9-22,23-10-6-3-7-11-23)26(31)29(25)19-28-14-16-32-17-15-28/h2-13,18H,14-17,19H2,1H3
InChIKey
HIMCSPTVSJLNGW-UHFFFAOYSA-N
Compound name
5-acetyl-1-(morpholin-4-ylmethyl)-3,3-diphenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.19434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20162 204.8
[M+Na]+ 449.18356 219.9
[M+NH4]+ 444.22816 213.5
[M+K]+ 465.15750 211.1
[M-H]- 425.18706 213.3
[M+Na-2H]- 447.16901 214.2
[M]+ 426.19379 209.6
[M]- 426.19489 209.6
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.