CID 16220264

Uk122

Structural Information

Molecular Formula
C17H13N3O2
SMILES
C1=CC=C(C=C1)C2=N/C(=C/C3=CC=C(C=C3)C(=N)N)/C(=O)O2
InChI
InChI=1S/C17H13N3O2/c18-15(19)12-8-6-11(7-9-12)10-14-17(21)22-16(20-14)13-4-2-1-3-5-13/h1-10H,(H3,18,19)/b14-10+
InChIKey
JBHISGPWLXASFE-GXDHUFHOSA-N
Compound name
4-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

291.10077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 168.6
[M+Na]+ 314.08999 181.1
[M+NH4]+ 309.13459 175.3
[M+K]+ 330.06393 176.6
[M-H]- 290.09349 175.3
[M+Na-2H]- 312.07544 176.4
[M]+ 291.10022 172.0
[M]- 291.10132 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.