CID 488891

4-imidazol-1-yl-6-methyl-2-(2-methyl-pyrrolidin-1-yl)-5-nitro-pyrimidine

Structural Information

Molecular Formula
C13H16N6O2
SMILES
CC1CCCN1C2=NC(=C(C(=N2)N3C=CN=C3)[N+](=O)[O-])C
InChI
InChI=1S/C13H16N6O2/c1-9-4-3-6-18(9)13-15-10(2)11(19(20)21)12(16-13)17-7-5-14-8-17/h5,7-9H,3-4,6H2,1-2H3
InChIKey
WXAFRWCKFUCLEG-UHFFFAOYSA-N
Compound name
4-imidazol-1-yl-6-methyl-2-(2-methylpyrrolidin-1-yl)-5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.13348 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14076 165.5
[M+Na]+ 311.12270 173.0
[M-H]- 287.12620 170.1
[M+NH4]+ 306.16730 176.9
[M+K]+ 327.09664 165.3
[M+H-H2O]+ 271.13074 159.1
[M+HCOO]- 333.13168 184.5
[M+CH3COO]- 347.14733 195.9
[M+Na-2H]- 309.10815 168.4
[M]+ 288.13293 162.7
[M]- 288.13403 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.