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 167.9
[M+Na]+ 318.12130 177.1
[M-H]- 294.12480 173.0
[M+NH4]+ 313.16590 180.0
[M+K]+ 334.09524 170.4
[M+H-H2O]+ 278.12934 157.6
[M+HCOO]- 340.13028 188.5
[M+CH3COO]- 354.14593 178.9
[M+Na-2H]- 316.10675 171.2
[M]+ 295.13153 168.4
[M]- 295.13263 168.4
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.