CID 2736212

4-(4,6-dimethoxypyrimidin-2-yl)aniline

Structural Information

Molecular Formula
C12H13N3O2
SMILES
COC1=CC(=NC(=N1)C2=CC=C(C=C2)N)OC
InChI
InChI=1S/C12H13N3O2/c1-16-10-7-11(17-2)15-12(14-10)8-3-5-9(13)6-4-8/h3-7H,13H2,1-2H3
InChIKey
QMGUXTLACGZGBE-UHFFFAOYSA-N
Compound name
4-(4,6-dimethoxypyrimidin-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

231.10077 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 151.0
[M+Na]+ 254.08999 165.6
[M+NH4]+ 249.13459 158.5
[M+K]+ 270.06393 159.0
[M-H]- 230.09349 154.8
[M+Na-2H]- 252.07544 160.0
[M]+ 231.10022 154.1
[M]- 231.10132 154.1
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

patents stripe