CID 9589012

Sbp(sub 1)

Structural Information

Molecular Formula
C9H6N4O3
SMILES
C1=CN=C(N=C1)/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H6N4O3/c14-13(15)8-3-2-7(16-8)6-12-9-10-4-1-5-11-9/h1-6H/b12-6+
InChIKey
UCRPMXRWGSDEHN-WUXMJOGZSA-N
Compound name
(E)-1-(5-nitrofuran-2-yl)-N-pyrimidin-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.04399 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05127 142.0
[M+Na]+ 241.03321 155.5
[M+NH4]+ 236.07781 149.1
[M+K]+ 257.00715 154.5
[M-H]- 217.03671 147.4
[M+Na-2H]- 239.01866 150.0
[M]+ 218.04344 145.2
[M]- 218.04454 145.2
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.