CID 495984

Nsc675573

Structural Information

Molecular Formula
C10H10N4O2
SMILES
C1CC2C(=O)NC3=NC=CN=C3C(=O)N2C1
InChI
InChI=1S/C10H10N4O2/c15-9-6-2-1-5-14(6)10(16)7-8(13-9)12-4-3-11-7/h3-4,6H,1-2,5H2,(H,12,13,15)
InChIKey
YIFRONCHFKOSBC-UHFFFAOYSA-N
Compound name
3,9,11,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),10,12-triene-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.08037 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08765 146.6
[M+Na]+ 241.06959 155.3
[M-H]- 217.07309 147.1
[M+NH4]+ 236.11419 161.9
[M+K]+ 257.04353 154.1
[M+H-H2O]+ 201.07763 137.2
[M+HCOO]- 263.07857 160.7
[M+CH3COO]- 277.09422 157.2
[M+Na-2H]- 239.05504 151.3
[M]+ 218.07982 141.0
[M]- 218.08092 141.0
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.