CID 39276

1,3-dihydro-1-(2-(diethylamino)ethyl)-3-ethoxy-3-phenyl-2h-indol-2-one fumarate hydrate

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CCN(CC)CCN1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)OCC
InChI
InChI=1S/C22H28N2O2/c1-4-23(5-2)16-17-24-20-15-11-10-14-19(20)22(21(24)25,26-6-3)18-12-8-7-9-13-18/h7-15H,4-6,16-17H2,1-3H3
InChIKey
AMMQLXLHGWCDJJ-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-3-ethoxy-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 187.4
[M+Na]+ 375.20432 193.8
[M-H]- 351.20782 194.5
[M+NH4]+ 370.24892 204.2
[M+K]+ 391.17826 189.7
[M+H-H2O]+ 335.21236 178.3
[M+HCOO]- 397.21330 209.0
[M+CH3COO]- 411.22895 220.7
[M+Na-2H]- 373.18977 189.3
[M]+ 352.21455 191.9
[M]- 352.21565 191.9
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.