CID 37005

1-benzyl-3-(2-(dimethylamino)ethoxy)-3-methyl-2-indolinone maleate

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)OCCN(C)C
InChI
InChI=1S/C20H24N2O2/c1-20(24-14-13-21(2)3)17-11-7-8-12-18(17)22(19(20)23)15-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3
InChIKey
VTMNBFOFBFYFCU-UHFFFAOYSA-N
Compound name
1-benzyl-3-[2-(dimethylamino)ethoxy]-3-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 178.3
[M+Na]+ 347.17300 185.7
[M-H]- 323.17650 185.9
[M+NH4]+ 342.21760 196.3
[M+K]+ 363.14694 181.9
[M+H-H2O]+ 307.18104 169.6
[M+HCOO]- 369.18198 200.6
[M+CH3COO]- 383.19763 214.8
[M+Na-2H]- 345.15845 181.3
[M]+ 324.18323 182.2
[M]- 324.18433 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.