CID 9589013

2-pyrimidinamine, 4-methyl-n-((5-nitro-2-furanyl)methylene)-

Structural Information

Molecular Formula
C10H8N4O3
SMILES
CC1=NC(=NC=C1)/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H8N4O3/c1-7-4-5-11-10(13-7)12-6-8-2-3-9(17-8)14(15)16/h2-6H,1H3/b12-6+
InChIKey
BHGFGGOIQXEJKW-WUXMJOGZSA-N
Compound name
(E)-N-(4-methylpyrimidin-2-yl)-1-(5-nitrofuran-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.05965 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.066926 147.5
[M+Na]+ 255.048868 155.8
[M-H]- 231.052374 154.4
[M+NH4]+ 250.093473 162.6
[M+K]+ 271.022808 150.6
[M+H-H2O]+ 215.056910 143.3
[M+HCOO]- 277.057851 174.4
[M+CH3COO]- 291.073501 187.0
[M+Na-2H]- 253.034316 157.1
[M]+ 232.05910142 148.5
[M]- 232.06019858 148.5
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.