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
4
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 152.0
[M+Na]+ 267.08524 159.8
[M-H]- 243.08874 156.8
[M+NH4]+ 262.12984 165.7
[M+K]+ 283.05918 152.1
[M+H-H2O]+ 227.09328 147.5
[M+HCOO]- 289.09422 176.5
[M+CH3COO]- 303.10987 191.0
[M+Na-2H]- 265.07069 161.1
[M]+ 244.09547 150.5
[M]- 244.09657 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.