CID 212715

Py-66

Structural Information

Molecular Formula
C12H12ClN5
SMILES
CC1=C(C(=NC(=N1)N)C)N=NC2=CC=CC=C2Cl
InChI
InChI=1S/C12H12ClN5/c1-7-11(8(2)16-12(14)15-7)18-17-10-6-4-3-5-9(10)13/h3-6H,1-2H3,(H2,14,15,16)
InChIKey
RNLNICANOXLEMQ-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)diazenyl]-4,6-dimethylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.07812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08540 157.5
[M+Na]+ 284.06734 172.7
[M+NH4]+ 279.11194 165.8
[M+K]+ 300.04128 164.5
[M-H]- 260.07084 163.5
[M+Na-2H]- 282.05279 167.5
[M]+ 261.07757 161.6
[M]- 261.07867 161.6
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.