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 151.0
[M+Na]+ 256.10564 161.2
[M-H]- 232.10914 153.2
[M+NH4]+ 251.15024 166.3
[M+K]+ 272.07958 156.5
[M+H-H2O]+ 216.11368 142.4
[M+HCOO]- 278.11462 172.1
[M+CH3COO]- 292.13027 187.6
[M+Na-2H]- 254.09109 154.7
[M]+ 233.11587 152.4
[M]- 233.11697 152.4
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

patents stripe