CID 37636

1,3-dihydro-3-methyl-1-(3-(morpholino)propyl)-3-phenyl-2h-indol-2-one maleate hemihydrate

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CC1(C2=CC=CC=C2N(C1=O)CCCN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H26N2O2/c1-22(18-8-3-2-4-9-18)19-10-5-6-11-20(19)24(21(22)25)13-7-12-23-14-16-26-17-15-23/h2-6,8-11H,7,12-17H2,1H3
InChIKey
UXPNKLYQEIMHAU-UHFFFAOYSA-N
Compound name
3-methyl-1-(3-morpholin-4-ylpropyl)-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 187.0
[M+Na]+ 373.18865 200.9
[M+NH4]+ 368.23325 196.6
[M+K]+ 389.16259 192.1
[M-H]- 349.19215 193.7
[M+Na-2H]- 371.17410 194.9
[M]+ 350.19888 191.1
[M]- 350.19998 191.1
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.