CID 16728896

Chembl233381

Structural Information

Molecular Formula
C11H14N6O2
SMILES
CCNC1=NC(=C(C(=N1)N2C=CN=C2C)[N+](=O)[O-])C
InChI
InChI=1S/C11H14N6O2/c1-4-12-11-14-7(2)9(17(18)19)10(15-11)16-6-5-13-8(16)3/h5-6H,4H2,1-3H3,(H,12,14,15)
InChIKey
INKXUBWFBZZHGF-UHFFFAOYSA-N
Compound name
N-ethyl-4-methyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.11783 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12511 157.5
[M+Na]+ 285.10705 166.4
[M-H]- 261.11055 160.5
[M+NH4]+ 280.15165 170.0
[M+K]+ 301.08099 158.8
[M+H-H2O]+ 245.11509 152.3
[M+HCOO]- 307.11603 180.4
[M+CH3COO]- 321.13168 194.8
[M+Na-2H]- 283.09250 164.6
[M]+ 262.11728 157.5
[M]- 262.11838 157.5
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.