CID 88194

19683-09-1

Structural Information

Molecular Formula
C24H17N3O2
SMILES
CC1=NN(N=C1C2=CC=CC=C2)C3=CC4=C(C=C3)C=C(C(=O)O4)C5=CC=CC=C5
InChI
InChI=1S/C24H17N3O2/c1-16-23(18-10-6-3-7-11-18)26-27(25-16)20-13-12-19-14-21(17-8-4-2-5-9-17)24(28)29-22(19)15-20/h2-15H,1H3
InChIKey
CLBWALOVEYKEEL-UHFFFAOYSA-N
Compound name
7-(4-methyl-5-phenyltriazol-2-yl)-3-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

51
Patents

379.13208 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.13936 191.0
[M+Na]+ 402.12130 212.2
[M+NH4]+ 397.16590 199.2
[M+K]+ 418.09524 203.7
[M-H]- 378.12480 200.8
[M+Na-2H]- 400.10675 204.0
[M]+ 379.13153 197.3
[M]- 379.13263 197.3
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

patents stripe