CID 13309396

92260-81-6

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1CC(=O)C2=C3C(=CC=C2)NC(=O)N3C1
InChI
InChI=1S/C11H10N2O2/c14-9-5-2-6-13-10-7(9)3-1-4-8(10)12-11(13)15/h1,3-4H,2,5-6H2,(H,12,15)
InChIKey
QDMYVAGJPVQRSQ-UHFFFAOYSA-N
Compound name
1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

202.07423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 140.6
[M+Na]+ 225.063448 150.6
[M-H]- 201.066954 143.9
[M+NH4]+ 220.108053 159.9
[M+K]+ 241.037388 149.5
[M+H-H2O]+ 185.071490 134.7
[M+HCOO]- 247.072431 159.8
[M+CH3COO]- 261.088081 153.5
[M+Na-2H]- 223.048896 147.5
[M]+ 202.07368142 138.9
[M]- 202.07477858 138.9
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