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]+ 297.030436 163.5
[M+Na]+ 319.012378 174.4
[M-H]- 295.015884 167.4
[M+NH4]+ 314.056983 177.2
[M+K]+ 334.986318 167.0
[M+H-H2O]+ 279.020420 155.6
[M+HCOO]- 341.021361 178.5
[M+CH3COO]- 355.037011 203.8
[M+Na-2H]- 316.997826 169.0
[M]+ 296.02261142 166.1
[M]- 296.02370858 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.