CID 363434

Nsc628345

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CN(C)C1=CC(=O)C(=O)C2=C1C=NC=C2
InChI
InChI=1S/C11H10N2O2/c1-13(2)9-5-10(14)11(15)7-3-4-12-6-8(7)9/h3-6H,1-2H3
InChIKey
LUFXJCSHGNYIIN-UHFFFAOYSA-N
Compound name
8-(dimethylamino)isoquinoline-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.07423 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 140.0
[M+Na]+ 225.06345 149.6
[M-H]- 201.06695 145.2
[M+NH4]+ 220.10805 159.7
[M+K]+ 241.03739 147.7
[M+H-H2O]+ 185.07149 133.0
[M+HCOO]- 247.07243 163.5
[M+CH3COO]- 261.08808 191.9
[M+Na-2H]- 223.04890 147.2
[M]+ 202.07368 141.7
[M]- 202.07478 141.7
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.