CID 12817725

Dtxsid501028646

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

244.09602 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10330 151.8
[M+Na]+ 267.08524 166.9
[M+NH4]+ 262.12984 159.3
[M+K]+ 283.05918 162.8
[M-H]- 243.08874 157.1
[M+Na-2H]- 265.07069 160.9
[M]+ 244.09547 155.3
[M]- 244.09657 155.3
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.