CID 9575106

2-pyrazinecarbox-n-(5-chloro-2-benzoxazolylmethylene)amidrazone

Structural Information

Molecular Formula
C13H9ClN6O
SMILES
C1=CC2=C(C=C1Cl)N=C(O2)/C=N/N=C(/C3=NC=CN=C3)\N
InChI
InChI=1S/C13H9ClN6O/c14-8-1-2-11-9(5-8)19-12(21-11)7-18-20-13(15)10-6-16-3-4-17-10/h1-7H,(H2,15,20)/b18-7+
InChIKey
JCKPNLDWEISCBB-CNHKJKLMSA-N
Compound name
N'-[(E)-(5-chloro-1,3-benzoxazol-2-yl)methylideneamino]pyrazine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.05264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05992 166.3
[M+Na]+ 323.04186 176.9
[M-H]- 299.04536 173.5
[M+NH4]+ 318.08646 179.7
[M+K]+ 339.01580 172.4
[M+H-H2O]+ 283.04990 156.0
[M+HCOO]- 345.05084 188.3
[M+CH3COO]- 359.06649 178.6
[M+Na-2H]- 321.02731 174.9
[M]+ 300.05209 171.0
[M]- 300.05319 171.0
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.