CID 1550071

Nsc624446

Structural Information

Molecular Formula
C16H12N2O4
SMILES
CC1=N/C(=C\C2=CC=C(C=C2)/C=C/3\N=C(OC3=O)C)/C(=O)O1
InChI
InChI=1S/C16H12N2O4/c1-9-17-13(15(19)21-9)7-11-3-5-12(6-4-11)8-14-16(20)22-10(2)18-14/h3-8H,1-2H3/b13-7-,14-8-
InChIKey
WCIRCRMUTTYYLP-PVRNWPCDSA-N
Compound name
(4Z)-2-methyl-4-[[4-[(Z)-(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl]methylidene]-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0797 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08698 166.2
[M+Na]+ 319.06892 176.7
[M-H]- 295.07242 175.9
[M+NH4]+ 314.11352 179.9
[M+K]+ 335.04286 174.1
[M+H-H2O]+ 279.07696 159.0
[M+HCOO]- 341.07790 187.0
[M+CH3COO]- 355.09355 200.3
[M+Na-2H]- 317.05437 165.8
[M]+ 296.07915 169.1
[M]- 296.08025 169.1
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

No patent data available for this compound.