CID 374299

Nsc651828

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CC1CN2C3=C(C=CC=C3NC1=O)NC2=O
InChI
InChI=1S/C11H11N3O2/c1-6-5-14-9-7(12-10(6)15)3-2-4-8(9)13-11(14)16/h2-4,6H,5H2,1H3,(H,12,15)(H,13,16)
InChIKey
AVYYEUAYESSDNK-UHFFFAOYSA-N
Compound name
11-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 146.9
[M+Na]+ 240.07435 157.5
[M-H]- 216.07785 147.9
[M+NH4]+ 235.11895 163.9
[M+K]+ 256.04829 155.6
[M+H-H2O]+ 200.08239 139.9
[M+HCOO]- 262.08333 163.4
[M+CH3COO]- 276.09898 158.7
[M+Na-2H]- 238.05980 152.5
[M]+ 217.08458 144.4
[M]- 217.08568 144.4
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.