CID 3094190

1-[2-(dimethylamino)ethyl]-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CN(C)CCN1C2=CC=CC=C2C(=O)C1=O
InChI
InChI=1S/C12H14N2O2/c1-13(2)7-8-14-10-6-4-3-5-9(10)11(15)12(14)16/h3-6H,7-8H2,1-2H3
InChIKey
XDKUHUFHXZYBCV-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

218.10553 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.112806 147.0
[M+Na]+ 241.094748 155.9
[M-H]- 217.098254 151.9
[M+NH4]+ 236.139353 167.8
[M+K]+ 257.068688 153.9
[M+H-H2O]+ 201.102790 140.3
[M+HCOO]- 263.103731 170.8
[M+CH3COO]- 277.119381 194.8
[M+Na-2H]- 239.080196 150.9
[M]+ 218.10498142 149.7
[M]- 218.10607858 149.7
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

patents stripe