CID 215077

Bicarbamimide, n,2-diethyl-3-phenyl-

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CCN1C(=O)N(N(C1=O)C2=CC=CC=C2)CC
InChI
InChI=1S/C12H15N3O2/c1-3-13-11(16)14(4-2)15(12(13)17)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey
KEGMOCLWWVNGHI-UHFFFAOYSA-N
Compound name
1,4-diethyl-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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 150.1
[M+Na]+ 256.105638 161.7
[M-H]- 232.109144 154.0
[M+NH4]+ 251.150243 166.4
[M+K]+ 272.079578 157.8
[M+H-H2O]+ 216.113680 141.6
[M+HCOO]- 278.114621 172.7
[M+CH3COO]- 292.130271 191.3
[M+Na-2H]- 254.091086 153.6
[M]+ 233.11587142 153.8
[M]- 233.11696858 153.8
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.