CID 3021281

4-(1-((4-methylphenyl)imino)ethyl)-5-phenyl-2,3-furandione

Structural Information

Molecular Formula
C19H15NO3
SMILES
CC1=CC=C(C=C1)N=C(C)C2=C(OC(=O)C2=O)C3=CC=CC=C3
InChI
InChI=1S/C19H15NO3/c1-12-8-10-15(11-9-12)20-13(2)16-17(21)19(22)23-18(16)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKey
SLLATRHRHWTMLQ-UHFFFAOYSA-N
Compound name
4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-5-phenylfuran-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1052 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.112476 170.4
[M+Na]+ 328.094418 178.8
[M-H]- 304.097924 183.0
[M+NH4]+ 323.139023 186.0
[M+K]+ 344.068358 175.9
[M+H-H2O]+ 288.102460 162.3
[M+HCOO]- 350.103401 195.6
[M+CH3COO]- 364.119051 209.3
[M+Na-2H]- 326.079866 172.2
[M]+ 305.10465142 172.8
[M]- 305.10574858 172.8
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.