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]+ 297.086976 166.2
[M+Na]+ 319.068918 176.7
[M-H]- 295.072424 175.9
[M+NH4]+ 314.113523 179.9
[M+K]+ 335.042858 174.1
[M+H-H2O]+ 279.076960 159.0
[M+HCOO]- 341.077901 187.0
[M+CH3COO]- 355.093551 200.3
[M+Na-2H]- 317.054366 165.8
[M]+ 296.07915142 169.1
[M]- 296.08024858 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.