CID 243961

2,4,6-pyrimidinetriamine, 5-nitroso-n4-phenyl-

Structural Information

Molecular Formula
C10H10N6O
SMILES
C1=CC=C(C=C1)NC2=NC(=NC(=C2N=O)N)N
InChI
InChI=1S/C10H10N6O/c11-8-7(16-17)9(15-10(12)14-8)13-6-4-2-1-3-5-6/h1-5H,(H5,11,12,13,14,15)
InChIKey
LMEZNYKPDHWJJN-UHFFFAOYSA-N
Compound name
5-nitroso-4-N-phenylpyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.09161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09889 147.9
[M+Na]+ 253.08083 156.5
[M-H]- 229.08433 153.5
[M+NH4]+ 248.12543 162.3
[M+K]+ 269.05477 153.0
[M+H-H2O]+ 213.08887 138.3
[M+HCOO]- 275.08981 175.8
[M+CH3COO]- 289.10546 201.8
[M+Na-2H]- 251.06628 156.5
[M]+ 230.09106 145.7
[M]- 230.09216 145.7
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.