CID 36999

1-benzyl-3-(2-(dimethylamino)ethyl)-3-methyl-2-indolinone hydrochloride

Structural Information

Molecular Formula
C20H24N2O
SMILES
CC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)CCN(C)C
InChI
InChI=1S/C20H24N2O/c1-20(13-14-21(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
QFLFLHUZNOSDIR-UHFFFAOYSA-N
Compound name
1-benzyl-3-[2-(dimethylamino)ethyl]-3-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 175.4
[M+Na]+ 331.17809 188.7
[M+NH4]+ 326.22269 185.5
[M+K]+ 347.15203 180.0
[M-H]- 307.18159 180.5
[M+Na-2H]- 329.16354 184.0
[M]+ 308.18832 178.9
[M]- 308.18942 178.9
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.