CID 348739

Nsc408205

Structural Information

Molecular Formula
C16H13NO2
SMILES
CC1=C2C(=CC=C1)C(=O)C(=O)N2C3=CC=CC=C3C
InChI
InChI=1S/C16H13NO2/c1-10-6-3-4-9-13(10)17-14-11(2)7-5-8-12(14)15(18)16(17)19/h3-9H,1-2H3
InChIKey
XQFYJINRIQLPGZ-UHFFFAOYSA-N
Compound name
7-methyl-1-(2-methylphenyl)indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 155.2
[M+Na]+ 274.08386 166.4
[M-H]- 250.08736 162.7
[M+NH4]+ 269.12846 174.6
[M+K]+ 290.05780 161.5
[M+H-H2O]+ 234.09190 148.1
[M+HCOO]- 296.09284 177.6
[M+CH3COO]- 310.10849 168.9
[M+Na-2H]- 272.06931 158.1
[M]+ 251.09409 157.1
[M]- 251.09519 157.1
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.