CID 500345

Nsc692340

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CC1=C2C(=CC=C1)NC(C2=O)(C)C3(C(=O)C4=C(C=CC=C4N3)C)C
InChI
InChI=1S/C20H20N2O2/c1-11-7-5-9-13-15(11)17(23)19(3,21-13)20(4)18(24)16-12(2)8-6-10-14(16)22-20/h5-10,21-22H,1-4H3
InChIKey
ATIDZGUTRAUUEB-UHFFFAOYSA-N
Compound name
2-(2,4-dimethyl-3-oxo-1H-indol-2-yl)-2,4-dimethyl-1H-indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15247 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 176.5
[M+Na]+ 343.14169 188.3
[M-H]- 319.14519 181.4
[M+NH4]+ 338.18629 197.2
[M+K]+ 359.11563 180.6
[M+H-H2O]+ 303.14973 170.1
[M+HCOO]- 365.15067 192.3
[M+CH3COO]- 379.16632 187.8
[M+Na-2H]- 341.12714 177.0
[M]+ 320.15192 176.2
[M]- 320.15302 176.2
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.