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 175.2
[M+Na]+ 331.17809 182.7
[M-H]- 307.18159 182.7
[M+NH4]+ 326.22269 194.0
[M+K]+ 347.15203 178.3
[M+H-H2O]+ 291.18613 166.6
[M+HCOO]- 353.18707 197.3
[M+CH3COO]- 367.20272 212.8
[M+Na-2H]- 329.16354 178.0
[M]+ 308.18832 177.6
[M]- 308.18942 177.6
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.