CID 215080

1-benzhydrylurazole

Structural Information

Molecular Formula
C15H13N3O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C(=O)NC(=O)N3
InChI
InChI=1S/C15H13N3O2/c19-14-16-15(20)18(17-14)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,16,17,19,20)
InChIKey
GCYCSHFCWRUUDV-UHFFFAOYSA-N
Compound name
1-benzhydryl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10077 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 159.0
[M+Na]+ 290.08999 167.4
[M-H]- 266.09349 162.8
[M+NH4]+ 285.13459 171.1
[M+K]+ 306.06393 160.8
[M+H-H2O]+ 250.09803 149.3
[M+HCOO]- 312.09897 177.8
[M+CH3COO]- 326.11462 169.7
[M+Na-2H]- 288.07544 162.6
[M]+ 267.10022 156.0
[M]- 267.10132 156.0
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.