CID 3039291

2h-indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-methoxy-3-phenyl-, (e)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CN(C)CCCN1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)OC
InChI
InChI=1S/C20H24N2O2/c1-21(2)14-9-15-22-18-13-8-7-12-17(18)20(24-3,19(22)23)16-10-5-4-6-11-16/h4-8,10-13H,9,14-15H2,1-3H3
InChIKey
SWBKRXUDJQFJCK-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-3-methoxy-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.191056 178.3
[M+Na]+ 347.172998 185.7
[M-H]- 323.176504 185.9
[M+NH4]+ 342.217603 196.3
[M+K]+ 363.146938 181.9
[M+H-H2O]+ 307.181040 169.6
[M+HCOO]- 369.181981 200.6
[M+CH3COO]- 383.197631 214.8
[M+Na-2H]- 345.158446 181.3
[M]+ 324.18323142 182.2
[M]- 324.18432858 182.2
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.