CID 200860

Py-62

Structural Information

Molecular Formula
C10H10ClN7
SMILES
C1=CC=C(C(=C1)N=NC2=C(N=C(N=C2N)N)N)Cl
InChI
InChI=1S/C10H10ClN7/c11-5-3-1-2-4-6(5)17-18-7-8(12)15-10(14)16-9(7)13/h1-4H,(H6,12,13,14,15,16)
InChIKey
YKYUQVGTVMQETN-UHFFFAOYSA-N
Compound name
5-[(2-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 158.7
[M+Na]+ 286.05785 168.6
[M-H]- 262.06135 165.1
[M+NH4]+ 281.10245 173.1
[M+K]+ 302.03179 163.6
[M+H-H2O]+ 246.06589 149.6
[M+HCOO]- 308.06683 183.5
[M+CH3COO]- 322.08248 210.9
[M+Na-2H]- 284.04330 165.4
[M]+ 263.06808 157.7
[M]- 263.06918 157.7
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.