CID 9604790

2-benzoxazoleacetonitrile, a-(phenylhydrazono)-

Structural Information

Molecular Formula
C15H10N4O
SMILES
C1=CC=C(C=C1)N/N=C(\C#N)/C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C15H10N4O/c16-10-13(19-18-11-6-2-1-3-7-11)15-17-12-8-4-5-9-14(12)20-15/h1-9,18H/b19-13+
InChIKey
MHPBBAHTEQWZMW-CPNJWEJPSA-N
Compound name
(2E)-N-anilino-1,3-benzoxazole-2-carboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.08545 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09273 163.5
[M+Na]+ 285.07467 173.9
[M-H]- 261.07817 169.3
[M+NH4]+ 280.11927 177.6
[M+K]+ 301.04861 168.2
[M+H-H2O]+ 245.08271 147.5
[M+HCOO]- 307.08365 185.5
[M+CH3COO]- 321.09930 174.2
[M+Na-2H]- 283.06012 170.7
[M]+ 262.08490 159.8
[M]- 262.08600 159.8
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.