CID 215061

2-butyl-3-phenylbicarbamimide

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CCCCN1C(=O)NC(=O)N1C2=CC=CC=C2
InChI
InChI=1S/C12H15N3O2/c1-2-3-9-14-11(16)13-12(17)15(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,16,17)
InChIKey
RCGWXZSVENSGDF-UHFFFAOYSA-N
Compound name
1-butyl-2-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

233.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 152.5
[M+Na]+ 256.10564 165.7
[M+NH4]+ 251.15024 158.5
[M+K]+ 272.07958 161.3
[M-H]- 232.10914 153.2
[M+Na-2H]- 254.09109 158.8
[M]+ 233.11587 154.3
[M]- 233.11697 154.3
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

patents stripe