CID 215061

Bicarbamimide, 2-butyl-3-phenyl-

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

11
Patents

233.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 151.0
[M+Na]+ 256.105638 161.2
[M-H]- 232.109144 153.2
[M+NH4]+ 251.150243 166.3
[M+K]+ 272.079578 156.5
[M+H-H2O]+ 216.113680 142.4
[M+HCOO]- 278.114621 172.1
[M+CH3COO]- 292.130271 187.6
[M+Na-2H]- 254.091086 154.7
[M]+ 233.11587142 152.4
[M]- 233.11696858 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