CID 10244340

2-pyrimidinamine, 4-methyl-5-nitro-6-(phenylmethoxy)-

Structural Information

Molecular Formula
C12H12N4O3
SMILES
CC1=C(C(=NC(=N1)N)OCC2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H12N4O3/c1-8-10(16(17)18)11(15-12(13)14-8)19-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,13,14,15)
InChIKey
QRPFYXCKZRCRTD-UHFFFAOYSA-N
Compound name
4-methyl-5-nitro-6-phenylmethoxypyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

95
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 155.4
[M+Na]+ 283.08016 163.0
[M-H]- 259.08366 159.7
[M+NH4]+ 278.12476 168.1
[M+K]+ 299.05410 155.5
[M+H-H2O]+ 243.08820 150.7
[M+HCOO]- 305.08914 179.5
[M+CH3COO]- 319.10479 192.5
[M+Na-2H]- 281.06561 163.6
[M]+ 260.09039 154.3
[M]- 260.09149 154.3
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.