CID 16728979

Chembl236417

Structural Information

Molecular Formula
C15H20N6O3
SMILES
CC1C(CCCO1)NC2=NC(=C(C(=N2)N3C=CN=C3C)[N+](=O)[O-])C
InChI
InChI=1S/C15H20N6O3/c1-9-13(21(22)23)14(20-7-6-16-11(20)3)19-15(17-9)18-12-5-4-8-24-10(12)2/h6-7,10,12H,4-5,8H2,1-3H3,(H,17,18,19)
InChIKey
MUVKLQALFDQZKH-UHFFFAOYSA-N
Compound name
4-methyl-6-(2-methylimidazol-1-yl)-N-(2-methyloxan-3-yl)-5-nitropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.1597 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16698 178.4
[M+Na]+ 355.14892 184.2
[M-H]- 331.15242 184.1
[M+NH4]+ 350.19352 185.8
[M+K]+ 371.12286 176.8
[M+H-H2O]+ 315.15696 171.6
[M+HCOO]- 377.15790 196.0
[M+CH3COO]- 391.17355 207.4
[M+Na-2H]- 353.13437 182.5
[M]+ 332.15915 175.2
[M]- 332.16025 175.2
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.