CID 215062

Bicarbamimide, 2-sec-butyl-3-phenyl-

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CCC(C)N1C(=O)NC(=O)N1C2=CC=CC=C2
InChI
InChI=1S/C12H15N3O2/c1-3-9(2)14-11(16)13-12(17)15(14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,16,17)
InChIKey
GMWXSJCIAYCKQE-UHFFFAOYSA-N
Compound name
1-butan-2-yl-2-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 151.0
[M+Na]+ 256.105638 160.9
[M-H]- 232.109144 153.3
[M+NH4]+ 251.150243 166.2
[M+K]+ 272.079578 156.7
[M+H-H2O]+ 216.113680 142.6
[M+HCOO]- 278.114621 171.1
[M+CH3COO]- 292.130271 188.5
[M+Na-2H]- 254.091086 153.6
[M]+ 233.11587142 151.9
[M]- 233.11696858 151.9
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.