CID 390785

Nsc688719

Structural Information

Molecular Formula
C11H12N6O2
SMILES
COC1=CC=CC=C1NC2=NC(=NC(=C2N=O)N)N
InChI
InChI=1S/C11H12N6O2/c1-19-7-5-3-2-4-6(7)14-10-8(17-18)9(12)15-11(13)16-10/h2-5H,1H3,(H5,12,13,14,15,16)
InChIKey
BHYJVVONQVFGIR-UHFFFAOYSA-N
Compound name
4-N-(2-methoxyphenyl)-5-nitrosopyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10217 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10945 156.2
[M+Na]+ 283.09139 165.0
[M-H]- 259.09489 162.0
[M+NH4]+ 278.13599 169.5
[M+K]+ 299.06533 162.0
[M+H-H2O]+ 243.09943 146.3
[M+HCOO]- 305.10037 183.8
[M+CH3COO]- 319.11602 208.4
[M+Na-2H]- 281.07684 163.4
[M]+ 260.10162 156.0
[M]- 260.10272 156.0
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.