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 159.8
[M+Na]+ 284.06734 170.4
[M-H]- 260.07084 166.8
[M+NH4]+ 279.11194 175.5
[M+K]+ 300.04128 165.4
[M+H-H2O]+ 244.07538 150.6
[M+HCOO]- 306.07632 183.0
[M+CH3COO]- 320.09197 207.4
[M+Na-2H]- 282.05279 166.5
[M]+ 261.07757 162.7
[M]- 261.07867 162.7
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.