CID 9589013

Sbp(sub 2)

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]+ 233.06693 147.5
[M+Na]+ 255.04887 155.8
[M-H]- 231.05237 154.4
[M+NH4]+ 250.09347 162.6
[M+K]+ 271.02281 150.6
[M+H-H2O]+ 215.05691 143.3
[M+HCOO]- 277.05785 174.4
[M+CH3COO]- 291.07350 187.0
[M+Na-2H]- 253.03432 157.1
[M]+ 232.05910 148.5
[M]- 232.06020 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.