CID 215086

Ur 77

Structural Information

Molecular Formula
C21H17N3O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C(=O)NC(=O)N3C4=CC=CC=C4
InChI
InChI=1S/C21H17N3O2/c25-20-22-21(26)24(23(20)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H,(H,22,25,26)
InChIKey
YIYXQYLLQRPJIW-UHFFFAOYSA-N
Compound name
1-benzhydryl-2-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.13208 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.13936 180.3
[M+Na]+ 366.12130 188.4
[M-H]- 342.12480 188.4
[M+NH4]+ 361.16590 189.5
[M+K]+ 382.09524 180.8
[M+H-H2O]+ 326.12934 168.7
[M+HCOO]- 388.13028 199.5
[M+CH3COO]- 402.14593 190.1
[M+Na-2H]- 364.10675 182.6
[M]+ 343.13153 178.7
[M]- 343.13263 178.7
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.