CID 3039289

1,3-dihydro-3-methoxy-1-(2-(4-morpholinyl)ethyl)-3-phenyl-2h-indol-2-one maleate hemihydrate

Structural Information

Molecular Formula
C21H24N2O3
SMILES
COC1(C2=CC=CC=C2N(C1=O)CCN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H24N2O3/c1-25-21(17-7-3-2-4-8-17)18-9-5-6-10-19(18)23(20(21)24)12-11-22-13-15-26-16-14-22/h2-10H,11-16H2,1H3
InChIKey
GKMRYRNUQBGHEC-UHFFFAOYSA-N
Compound name
3-methoxy-1-(2-morpholin-4-ylethyl)-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17868 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18596 184.9
[M+Na]+ 375.16790 190.9
[M-H]- 351.17140 192.6
[M+NH4]+ 370.21250 197.8
[M+K]+ 391.14184 187.0
[M+H-H2O]+ 335.17594 174.2
[M+HCOO]- 397.17688 200.1
[M+CH3COO]- 411.19253 194.3
[M+Na-2H]- 373.15335 186.9
[M]+ 352.17813 184.0
[M]- 352.17923 184.0
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.