CID 121857

Mfcd00075232

Structural Information

Molecular Formula
C23H16N2O4
SMILES
C1=CC=C(C=C1)C2=C(C(=O)ON2)C=CC=CC=C3C(=NOC3=O)C4=CC=CC=C4
InChI
InChI=1S/C23H16N2O4/c26-22-18(20(24-28-22)16-10-4-1-5-11-16)14-8-3-9-15-19-21(25-29-23(19)27)17-12-6-2-7-13-17/h1-15,24H
InChIKey
KUINQLKLKSFJME-UHFFFAOYSA-N
Compound name
4-[5-(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)penta-2,4-dienylidene]-3-phenyl-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

20
Patents

384.111 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.11828 191.5
[M+Na]+ 407.10022 200.1
[M-H]- 383.10372 202.5
[M+NH4]+ 402.14482 200.0
[M+K]+ 423.07416 194.1
[M+H-H2O]+ 367.10826 182.4
[M+HCOO]- 429.10920 211.2
[M+CH3COO]- 443.12485 201.7
[M+Na-2H]- 405.08567 190.1
[M]+ 384.11045 192.5
[M]- 384.11155 192.5
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

patents stripe