CID 3065426

Bicarbamimide, 2-phenyl-3-(3-phenylpropyl)-

Structural Information

Molecular Formula
C17H17N3O2
SMILES
C1=CC=C(C=C1)CCCN2C(=O)NC(=O)N2C3=CC=CC=C3
InChI
InChI=1S/C17H17N3O2/c21-16-18-17(22)20(15-11-5-2-6-12-15)19(16)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,18,21,22)
InChIKey
ATELVPFSVIWZSN-UHFFFAOYSA-N
Compound name
1-phenyl-2-(3-phenylpropyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13936 169.2
[M+Na]+ 318.12130 184.4
[M+NH4]+ 313.16590 175.6
[M+K]+ 334.09524 178.4
[M-H]- 294.12480 172.7
[M+Na-2H]- 316.10675 178.5
[M]+ 295.13153 172.3
[M]- 295.13263 172.3
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

No patent data available for this compound.