CID 9561571

73664-29-6

Structural Information

Molecular Formula
C10H12Cl2N6O2
SMILES
CN1C2=C(N=C1N/N=C/C(Cl)Cl)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C10H12Cl2N6O2/c1-16-6-7(14-9(16)15-13-4-5(11)12)17(2)10(20)18(3)8(6)19/h4-5H,1-3H3,(H,14,15)/b13-4+
InChIKey
GMXXSOIXMQJOOD-YIXHJXPBSA-N
Compound name
8-[(2E)-2-(2,2-dichloroethylidene)hydrazinyl]-1,3,7-trimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0399 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04718 168.0
[M+Na]+ 341.02912 182.3
[M-H]- 317.03262 169.8
[M+NH4]+ 336.07372 182.4
[M+K]+ 357.00306 176.7
[M+H-H2O]+ 301.03716 160.1
[M+HCOO]- 363.03810 182.2
[M+CH3COO]- 377.05375 212.1
[M+Na-2H]- 339.01457 171.3
[M]+ 318.03935 176.4
[M]- 318.04045 176.4
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.