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
1
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]+ 262.08223 155.2
[M+Na]+ 284.06417 163.4
[M-H]- 260.06767 160.0
[M+NH4]+ 279.10877 168.3
[M+K]+ 300.03811 157.0
[M+H-H2O]+ 244.07221 150.5
[M+HCOO]- 306.07315 178.9
[M+CH3COO]- 320.08880 190.4
[M+Na-2H]- 282.04962 163.8
[M]+ 261.07440 157.0
[M]- 261.07550 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.