CID 16220264

940290-58-4

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 167.7
[M+Na]+ 314.08999 174.9
[M-H]- 290.09349 176.9
[M+NH4]+ 309.13459 180.9
[M+K]+ 330.06393 170.2
[M+H-H2O]+ 274.09803 158.7
[M+HCOO]- 336.09897 191.0
[M+CH3COO]- 350.11462 179.1
[M+Na-2H]- 312.07544 170.2
[M]+ 291.10022 164.7
[M]- 291.10132 164.7
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.