CID 378838

Nsc662155

Structural Information

Molecular Formula
C12H12N4O3
SMILES
COC1=NC(=C(C(=N1)OCC2=CC=CC=C2)N=O)N
InChI
InChI=1S/C12H12N4O3/c1-18-12-14-10(13)9(16-17)11(15-12)19-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,13,14,15)
InChIKey
IRUZRGKXYPCVSQ-UHFFFAOYSA-N
Compound name
2-methoxy-5-nitroso-6-phenylmethoxypyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.09094 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09822 155.9
[M+Na]+ 283.08016 164.8
[M-H]- 259.08366 161.6
[M+NH4]+ 278.12476 169.8
[M+K]+ 299.05410 162.5
[M+H-H2O]+ 243.08820 146.0
[M+HCOO]- 305.08914 182.0
[M+CH3COO]- 319.10479 202.2
[M+Na-2H]- 281.06561 163.4
[M]+ 260.09039 159.4
[M]- 260.09149 159.4
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.