CID 3039295

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

Structural Information

Molecular Formula
C22H26N2O3
SMILES
CCOC1(C2=CC=CC=C2N(C1=O)CCN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H26N2O3/c1-2-27-22(18-8-4-3-5-9-18)19-10-6-7-11-20(19)24(21(22)25)13-12-23-14-16-26-17-15-23/h3-11H,2,12-17H2,1H3
InChIKey
VEQIVHWHNWXERO-UHFFFAOYSA-N
Compound name
3-ethoxy-1-(2-morpholin-4-ylethyl)-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 189.4
[M+Na]+ 389.18356 194.8
[M-H]- 365.18706 196.8
[M+NH4]+ 384.22816 201.6
[M+K]+ 405.15750 190.7
[M+H-H2O]+ 349.19160 178.4
[M+HCOO]- 411.19254 204.2
[M+CH3COO]- 425.20819 198.2
[M+Na-2H]- 387.16901 190.7
[M]+ 366.19379 188.7
[M]- 366.19489 188.7
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.