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]+ 292.108046 167.7
[M+Na]+ 314.089988 174.9
[M-H]- 290.093494 176.9
[M+NH4]+ 309.134593 180.9
[M+K]+ 330.063928 170.2
[M+H-H2O]+ 274.098030 158.7
[M+HCOO]- 336.098971 191.0
[M+CH3COO]- 350.114621 179.1
[M+Na-2H]- 312.075436 170.2
[M]+ 291.10022142 164.7
[M]- 291.10131858 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.