CID 200861

Py-61

Structural Information

Molecular Formula
C10H10ClN7
SMILES
C1=CC(=CC=C1N=NC2=C(N=C(N=C2N)N)N)Cl
InChI
InChI=1S/C10H10ClN7/c11-5-1-3-6(4-2-5)17-18-7-8(12)15-10(14)16-9(7)13/h1-4H,(H6,12,13,14,15,16)
InChIKey
XUQMIWAPQCNILJ-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenyl)diazenyl]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.06863 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07591 155.7
[M+Na]+ 286.05785 168.0
[M+NH4]+ 281.10245 162.8
[M+K]+ 302.03179 161.7
[M-H]- 262.06135 161.8
[M+Na-2H]- 284.04330 164.5
[M]+ 263.06808 159.1
[M]- 263.06918 159.1
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.