CID 3039289

2h-indol-2-one, 1,3-dihydro-3-methoxy-1-(2-(4-morpholinyl)ethyl)-3-phenyl-, (z)-2-butenedioate, hydrate (2:2:1)

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]+ 353.185956 184.9
[M+Na]+ 375.167898 190.9
[M-H]- 351.171404 192.6
[M+NH4]+ 370.212503 197.8
[M+K]+ 391.141838 187.0
[M+H-H2O]+ 335.175940 174.2
[M+HCOO]- 397.176881 200.1
[M+CH3COO]- 411.192531 194.3
[M+Na-2H]- 373.153346 186.9
[M]+ 352.17813142 184.0
[M]- 352.17922858 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.