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 205.7
[M+Na]+ 449.18356 210.9
[M-H]- 425.18706 216.2
[M+NH4]+ 444.22816 214.7
[M+K]+ 465.15750 205.5
[M+H-H2O]+ 409.19160 193.2
[M+HCOO]- 471.19254 218.9
[M+CH3COO]- 485.20819 213.4
[M+Na-2H]- 447.16901 204.4
[M]+ 426.19379 202.9
[M]- 426.19489 202.9
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.