CID 39282

2h-indol-2-one, 1,3-dihydro-1-(3-(diethylamino)propyl)-3-ethoxy-3-phenyl-, fumarate, hemihydrate (2:2:1)

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CCN(CC)CCCN1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)OCC
InChI
InChI=1S/C23H30N2O2/c1-4-24(5-2)17-12-18-25-21-16-11-10-15-20(21)23(22(25)26,27-6-3)19-13-8-7-9-14-19/h7-11,13-16H,4-6,12,17-18H2,1-3H3
InChIKey
CYQJKODLDOJUGM-UHFFFAOYSA-N
Compound name
1-[3-(diethylamino)propyl]-3-ethoxy-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.238016 192.0
[M+Na]+ 389.219958 197.9
[M-H]- 365.223464 198.8
[M+NH4]+ 384.264563 208.1
[M+K]+ 405.193898 193.5
[M+H-H2O]+ 349.228000 182.6
[M+HCOO]- 411.228941 213.1
[M+CH3COO]- 425.244591 223.6
[M+Na-2H]- 387.205406 193.3
[M]+ 366.23019142 196.8
[M]- 366.23128858 196.8
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.