CID 215063

Bicarbamimide, 2-phenyl-3-(1-propylbutyl)-

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CCCC(CCC)N1C(=O)NC(=O)N1C2=CC=CC=C2
InChI
InChI=1S/C15H21N3O2/c1-3-8-12(9-4-2)17-14(19)16-15(20)18(17)13-10-6-5-7-11-13/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,16,19,20)
InChIKey
LZKJBZYEMQOQPX-UHFFFAOYSA-N
Compound name
1-heptan-4-yl-2-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1634 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.170676 164.5
[M+Na]+ 298.152618 173.1
[M-H]- 274.156124 166.3
[M+NH4]+ 293.197223 178.0
[M+K]+ 314.126558 168.1
[M+H-H2O]+ 258.160660 155.5
[M+HCOO]- 320.161601 183.6
[M+CH3COO]- 334.177251 197.4
[M+Na-2H]- 296.138066 165.5
[M]+ 275.16285142 166.4
[M]- 275.16394858 166.4
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.