CID 366219

Nsc634546

Structural Information

Molecular Formula
C31H23NO2
SMILES
CC1=NC(C(=O)O1)(C2=CC=CC=C2)C3(C(=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C31H23NO2/c1-22-32-31(29(33)34-22,26-20-12-5-13-21-26)30(25-18-10-4-11-19-25)27(23-14-6-2-7-15-23)28(30)24-16-8-3-9-17-24/h2-21H,1H3
InChIKey
LBMTXNLYKYAIMO-UHFFFAOYSA-N
Compound name
2-methyl-4-phenyl-4-(1,2,3-triphenylcycloprop-2-en-1-yl)-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.17288 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.18016 204.4
[M+Na]+ 464.16210 214.4
[M-H]- 440.16560 222.3
[M+NH4]+ 459.20670 210.7
[M+K]+ 480.13604 210.3
[M+H-H2O]+ 424.17014 193.1
[M+HCOO]- 486.17108 225.6
[M+CH3COO]- 500.18673 214.3
[M+Na-2H]- 462.14755 206.6
[M]+ 441.17233 207.7
[M]- 441.17343 207.7
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.