CID 9604793

2-benzoxazoleacetonitrile, a-[(4-methylphenyl)hydrazono]-

Structural Information

Molecular Formula
C16H12N4O
SMILES
CC1=CC=C(C=C1)N/N=C(\C#N)/C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C16H12N4O/c1-11-6-8-12(9-7-11)19-20-14(10-17)16-18-13-4-2-3-5-15(13)21-16/h2-9,19H,1H3/b20-14+
InChIKey
PZDZJJUKEMYWBE-XSFVSMFZSA-N
Compound name
(2E)-N-(4-methylanilino)-1,3-benzoxazole-2-carboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.1011 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10838 168.4
[M+Na]+ 299.09032 179.1
[M-H]- 275.09382 174.4
[M+NH4]+ 294.13492 182.3
[M+K]+ 315.06426 173.4
[M+H-H2O]+ 259.09836 152.5
[M+HCOO]- 321.09930 190.0
[M+CH3COO]- 335.11495 178.9
[M+Na-2H]- 297.07577 174.4
[M]+ 276.10055 165.4
[M]- 276.10165 165.4
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.