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]+ 296.139356 167.9
[M+Na]+ 318.121298 177.1
[M-H]- 294.124804 173.0
[M+NH4]+ 313.165903 180.0
[M+K]+ 334.095238 170.4
[M+H-H2O]+ 278.129340 157.6
[M+HCOO]- 340.130281 188.5
[M+CH3COO]- 354.145931 178.9
[M+Na-2H]- 316.106746 171.2
[M]+ 295.13153142 168.4
[M]- 295.13262858 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.