CID 97517

24749-07-3

Structural Information

Molecular Formula
C12H11Cl2N5
SMILES
CC1=C(C(=NC(=N1)N)C)N=NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H11Cl2N5/c1-6-11(7(2)17-12(15)16-6)19-18-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3,(H2,15,16,17)
InChIKey
FGHVSOCUXFSNDR-UHFFFAOYSA-N
Compound name
5-[(2,4-dichlorophenyl)diazenyl]-4,6-dimethylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.03915 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.04643 167.6
[M+Na]+ 318.02837 179.3
[M-H]- 294.03187 173.9
[M+NH4]+ 313.07297 182.5
[M+K]+ 334.00231 173.2
[M+H-H2O]+ 278.03641 159.1
[M+HCOO]- 340.03735 185.4
[M+CH3COO]- 354.05300 212.8
[M+Na-2H]- 316.01382 172.4
[M]+ 295.03860 171.9
[M]- 295.03970 171.9
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.