CID 121597

4,6-dimethoxy-5-nitro-2-phenylpyrimidine

Structural Information

Molecular Formula
C12H11N3O4
SMILES
COC1=C(C(=NC(=N1)C2=CC=CC=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C12H11N3O4/c1-18-11-9(15(16)17)12(19-2)14-10(13-11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
FWIMKFKYOGWCNZ-UHFFFAOYSA-N
Compound name
4,6-dimethoxy-5-nitro-2-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

261.07495 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.082226 155.2
[M+Na]+ 284.064168 163.4
[M-H]- 260.067674 160.0
[M+NH4]+ 279.108773 168.3
[M+K]+ 300.038108 157.0
[M+H-H2O]+ 244.072210 150.5
[M+HCOO]- 306.073151 178.9
[M+CH3COO]- 320.088801 190.4
[M+Na-2H]- 282.049616 163.8
[M]+ 261.07440142 157.0
[M]- 261.07549858 157.0
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.