CID 16728983

Chembl233837

Structural Information

Molecular Formula
C15H20N6O3
SMILES
CC1CCOC1CNC2=NC(=C(C(=N2)N3C=CN=C3C)[N+](=O)[O-])C
InChI
InChI=1S/C15H20N6O3/c1-9-4-7-24-12(9)8-17-15-18-10(2)13(21(22)23)14(19-15)20-6-5-16-11(20)3/h5-6,9,12H,4,7-8H2,1-3H3,(H,17,18,19)
InChIKey
DCTDJGUQXJZXBR-UHFFFAOYSA-N
Compound name
4-methyl-6-(2-methylimidazol-1-yl)-N-[(3-methyloxolan-2-yl)methyl]-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 177.2
[M+Na]+ 355.14892 183.7
[M-H]- 331.15242 183.8
[M+NH4]+ 350.19352 186.7
[M+K]+ 371.12286 176.8
[M+H-H2O]+ 315.15696 171.4
[M+HCOO]- 377.15790 197.1
[M+CH3COO]- 391.17355 207.0
[M+Na-2H]- 353.13437 180.0
[M]+ 332.15915 176.3
[M]- 332.16025 176.3
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.