CID 9575105

Nsc709090

Structural Information

Molecular Formula
C13H10N6O
SMILES
C1=CC=C2C(=C1)N=C(O2)/C=N/N=C(/C3=NC=CN=C3)\N
InChI
InChI=1S/C13H10N6O/c14-13(10-7-15-5-6-16-10)19-17-8-12-18-9-3-1-2-4-11(9)20-12/h1-8H,(H2,14,19)/b17-8+
InChIKey
AJGIVPALLOUAFZ-CAOOACKPSA-N
Compound name
N'-[(E)-1,3-benzoxazol-2-ylmethylideneamino]pyrazine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0916 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09888 156.7
[M+Na]+ 289.08082 165.8
[M-H]- 265.08432 163.9
[M+NH4]+ 284.12542 170.4
[M+K]+ 305.05476 162.7
[M+H-H2O]+ 249.08886 146.0
[M+HCOO]- 311.08980 183.5
[M+CH3COO]- 325.10545 169.3
[M+Na-2H]- 287.06627 167.0
[M]+ 266.09105 158.9
[M]- 266.09215 158.9
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.