CID 6438231

Acetamide, n-acetyl-n-(6-(2-(5-nitro-2-furanyl)ethenyl)-1,2,4-triazin-2-yl)-

Structural Information

Molecular Formula
C11H7N5O7
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=C/C2=CN=C(N=N2)N(C(=O)O)C(=O)O
InChI
InChI=1S/C11H7N5O7/c17-10(18)15(11(19)20)9-12-5-6(13-14-9)1-2-7-3-4-8(23-7)16(21)22/h1-5H,(H,17,18)(H,19,20)/b2-1+
InChIKey
YMPDBZMYQWHJQG-OWOJBTEDSA-N
Compound name
carboxy-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.03455 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.04183 162.9
[M+Na]+ 344.02377 172.0
[M+NH4]+ 339.06837 164.8
[M+K]+ 359.99771 176.4
[M-H]- 320.02727 163.4
[M+Na-2H]- 342.00922 165.7
[M]+ 321.03400 163.4
[M]- 321.03510 163.4
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.