CID 88194

2h-1-benzopyran-2-one, 7-(4-methyl-5-phenyl-2h-1,2,3-triazol-2-yl)-3-phenyl-

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

64
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 193.1
[M+Na]+ 402.12130 204.7
[M-H]- 378.12480 204.6
[M+NH4]+ 397.16590 201.6
[M+K]+ 418.09524 197.6
[M+H-H2O]+ 362.12934 180.6
[M+HCOO]- 424.13028 213.3
[M+CH3COO]- 438.14593 203.9
[M+Na-2H]- 400.10675 197.2
[M]+ 379.13153 196.7
[M]- 379.13263 196.7
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

patents stripe