CID 5469248

Nsc684786

Structural Information

Molecular Formula
C11H8N4O
SMILES
C1=CC(=CN=C1)/C=C/C2=NC(=C(O2)N)C#N
InChI
InChI=1S/C11H8N4O/c12-6-9-11(13)16-10(15-9)4-3-8-2-1-5-14-7-8/h1-5,7H,13H2/b4-3+
InChIKey
HOWWBXYQVPMKJY-ONEGZZNKSA-N
Compound name
5-amino-2-[(E)-2-pyridin-3-ylethenyl]-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06981 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.077086 146.3
[M+Na]+ 235.059028 157.0
[M-H]- 211.062534 149.0
[M+NH4]+ 230.103633 160.1
[M+K]+ 251.032968 153.0
[M+H-H2O]+ 195.067070 130.7
[M+HCOO]- 257.068011 165.5
[M+CH3COO]- 271.083661 157.3
[M+Na-2H]- 233.044476 151.1
[M]+ 212.06926142 140.8
[M]- 212.07035858 140.8
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.