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]+ 282.123696 163.5
[M+Na]+ 304.105638 173.2
[M-H]- 280.109144 168.7
[M+NH4]+ 299.150243 176.1
[M+K]+ 320.079578 166.7
[M+H-H2O]+ 264.113680 153.4
[M+HCOO]- 326.114621 184.5
[M+CH3COO]- 340.130271 174.9
[M+Na-2H]- 302.091086 167.3
[M]+ 281.11587142 163.6
[M]- 281.11696858 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.