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]+ 213.07709 146.3
[M+Na]+ 235.05903 157.0
[M-H]- 211.06253 149.0
[M+NH4]+ 230.10363 160.1
[M+K]+ 251.03297 153.0
[M+H-H2O]+ 195.06707 130.7
[M+HCOO]- 257.06801 165.5
[M+CH3COO]- 271.08366 157.3
[M+Na-2H]- 233.04448 151.1
[M]+ 212.06926 140.8
[M]- 212.07036 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.