CID 36995

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

Structural Information

Molecular Formula
C19H22N2O
SMILES
CC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)CN(C)C
InChI
InChI=1S/C19H22N2O/c1-19(14-20(2)3)16-11-7-8-12-17(16)21(18(19)22)13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3
InChIKey
RVANMADEYIFXET-UHFFFAOYSA-N
Compound name
1-benzyl-3-[(dimethylamino)methyl]-3-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 170.6
[M+Na]+ 317.16244 178.6
[M-H]- 293.16594 178.4
[M+NH4]+ 312.20704 189.9
[M+K]+ 333.13638 174.4
[M+H-H2O]+ 277.17048 162.2
[M+HCOO]- 339.17142 193.1
[M+CH3COO]- 353.18707 209.8
[M+Na-2H]- 315.14789 174.0
[M]+ 294.17267 172.7
[M]- 294.17377 172.7
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.