CID 166221

72102-84-2

Structural Information

Molecular Formula
C12H10N6O4
SMILES
CC1=CC2=C(C=C1N=NC3C(=O)NC(=O)NC3=O)NC(=O)N2
InChI
InChI=1S/C12H10N6O4/c1-4-2-6-7(14-11(21)13-6)3-5(4)17-18-8-9(19)15-12(22)16-10(8)20/h2-3,8H,1H3,(H2,13,14,21)(H2,15,16,19,20,22)
InChIKey
RITYHZCLJGBCAJ-UHFFFAOYSA-N
Compound name
5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

103
Patents

302.07635 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08363 165.9
[M+Na]+ 325.06557 176.1
[M+NH4]+ 320.11017 168.8
[M+K]+ 341.03951 174.7
[M-H]- 301.06907 165.2
[M+Na-2H]- 323.05102 168.3
[M]+ 302.07580 166.3
[M]- 302.07690 166.3
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