CID 135454489

Stk637574

Structural Information

Molecular Formula
C12H10Cl2N4O
SMILES
CC1=CC(=O)NC(=N1)N/N=C/C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H10Cl2N4O/c1-7-4-11(19)17-12(16-7)18-15-6-8-2-3-9(13)5-10(8)14/h2-6H,1H3,(H2,16,17,18,19)/b15-6+
InChIKey
DPOCHLRFJYIZFM-GIDUJCDVSA-N
Compound name
2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

296.02316 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.03044 163.5
[M+Na]+ 319.01238 174.4
[M-H]- 295.01588 167.4
[M+NH4]+ 314.05698 177.2
[M+K]+ 334.98632 167.0
[M+H-H2O]+ 279.02042 155.6
[M+HCOO]- 341.02136 178.5
[M+CH3COO]- 355.03701 203.8
[M+Na-2H]- 316.99783 169.0
[M]+ 296.02261 166.1
[M]- 296.02371 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.