CID 9575107

2-pyrazinecarbox-n-(6-nitro-2-benzoxazolylmethylene)amidrazone

Structural Information

Molecular Formula
C13H9N7O3
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])OC(=N2)/C=N/N=C(/C3=NC=CN=C3)\N
InChI
InChI=1S/C13H9N7O3/c14-13(10-6-15-3-4-16-10)19-17-7-12-18-9-2-1-8(20(21)22)5-11(9)23-12/h1-7H,(H2,14,19)/b17-7+
InChIKey
RCCYMPAEVYYJRS-REZTVBANSA-N
Compound name
N'-[(E)-(6-nitro-1,3-benzoxazol-2-yl)methylideneamino]pyrazine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.0767 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08398 163.3
[M+Na]+ 334.06592 170.6
[M-H]- 310.06942 170.9
[M+NH4]+ 329.11052 174.0
[M+K]+ 350.03986 164.1
[M+H-H2O]+ 294.07396 156.8
[M+HCOO]- 356.07490 190.8
[M+CH3COO]- 370.09055 207.4
[M+Na-2H]- 332.05137 175.5
[M]+ 311.07615 164.0
[M]- 311.07725 164.0
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.