CID 215073

Bicarbamimide, 2-phenethyl-3-phenyl-

Structural Information

Molecular Formula
C16H15N3O2
SMILES
C1=CC=C(C=C1)CCN2C(=O)NC(=O)N2C3=CC=CC=C3
InChI
InChI=1S/C16H15N3O2/c20-15-17-16(21)19(14-9-5-2-6-10-14)18(15)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,20,21)
InChIKey
AESWUBJGNPGUIE-UHFFFAOYSA-N
Compound name
1-phenyl-2-(2-phenylethyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 163.5
[M+Na]+ 304.10564 173.2
[M-H]- 280.10914 168.7
[M+NH4]+ 299.15024 176.1
[M+K]+ 320.07958 166.7
[M+H-H2O]+ 264.11368 153.4
[M+HCOO]- 326.11462 184.5
[M+CH3COO]- 340.13027 174.9
[M+Na-2H]- 302.09109 167.3
[M]+ 281.11587 163.6
[M]- 281.11697 163.6
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.