CID 394194

Nsc697463

Structural Information

Molecular Formula
C11H13N3O2
SMILES
C1CCC2=C3C(=CN2CC1)NC(=O)NC3=O
InChI
InChI=1S/C11H13N3O2/c15-10-9-7(12-11(16)13-10)6-14-5-3-1-2-4-8(9)14/h6H,1-5H2,(H2,12,13,15,16)
InChIKey
ACODYNGKSKENBG-UHFFFAOYSA-N
Compound name
4,6,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 145.6
[M+Na]+ 242.08999 155.3
[M-H]- 218.09349 146.8
[M+NH4]+ 237.13459 162.0
[M+K]+ 258.06393 153.2
[M+H-H2O]+ 202.09803 138.1
[M+HCOO]- 264.09897 162.0
[M+CH3COO]- 278.11462 157.0
[M+Na-2H]- 240.07544 151.5
[M]+ 219.10022 140.9
[M]- 219.10132 140.9
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

No patent data available for this compound.