CID 9575104

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

Structural Information

Molecular Formula
C14H12N6O
SMILES
CC1=CC2=C(C=C1)OC(=N2)/C=N/N=C(/C3=NC=CN=C3)\N
InChI
InChI=1S/C14H12N6O/c1-9-2-3-12-10(6-9)19-13(21-12)8-18-20-14(15)11-7-16-4-5-17-11/h2-8H,1H3,(H2,15,20)/b18-8+
InChIKey
RNAFTWBYWMKFII-QGMBQPNBSA-N
Compound name
N'-[(E)-(5-methyl-1,3-benzoxazol-2-yl)methylideneamino]pyrazine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10727 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11455 162.8
[M+Na]+ 303.09649 172.4
[M-H]- 279.09999 170.3
[M+NH4]+ 298.14109 176.3
[M+K]+ 319.07043 169.1
[M+H-H2O]+ 263.10453 152.1
[M+HCOO]- 325.10547 189.3
[M+CH3COO]- 339.12112 175.2
[M+Na-2H]- 301.08194 171.7
[M]+ 280.10672 165.7
[M]- 280.10782 165.7
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.