CID 4427235

4,6-dimethyl-n-(4-nitrophenyl)pyrimidin-2-amine

Structural Information

Molecular Formula
C12H12N4O2
SMILES
CC1=CC(=NC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C12H12N4O2/c1-8-7-9(2)14-12(13-8)15-10-3-5-11(6-4-10)16(17)18/h3-7H,1-2H3,(H,13,14,15)
InChIKey
VGFMTVDNPHKQAR-UHFFFAOYSA-N
Compound name
4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

244.09602 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.103296 152.0
[M+Na]+ 267.085238 159.8
[M-H]- 243.088744 156.8
[M+NH4]+ 262.129843 165.7
[M+K]+ 283.059178 152.1
[M+H-H2O]+ 227.093280 147.5
[M+HCOO]- 289.094221 176.5
[M+CH3COO]- 303.109871 191.0
[M+Na-2H]- 265.070686 161.1
[M]+ 244.09547142 150.5
[M]- 244.09656858 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.