CID 6438385

Oxonol v

Structural Information

Molecular Formula
C23H16N2O4
SMILES
C1=CC=C(C=C1)C2=C(C(=O)ON2)/C=C/C=C/C=C\3/C(=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/b9-3+,14-8+,19-15-
InChIKey
KUINQLKLKSFJME-UFRBDIPQSA-N
Compound name
(4Z)-4-[(2E,4E)-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

153
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 191.1
[M+Na]+ 407.10022 205.6
[M+NH4]+ 402.14482 196.0
[M+K]+ 423.07416 202.0
[M-H]- 383.10372 198.1
[M+Na-2H]- 405.08567 198.1
[M]+ 384.11045 195.0
[M]- 384.11155 195.0
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

patents stripe