CID 215064

Bicarbamimide, 2-cyclopentyl-3-phenyl-

Structural Information

Molecular Formula
C13H15N3O2
SMILES
C1CCC(C1)N2C(=O)NC(=O)N2C3=CC=CC=C3
InChI
InChI=1S/C13H15N3O2/c17-12-14-13(18)16(11-8-4-5-9-11)15(12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,17,18)
InChIKey
JHROMZJZLXPXKQ-UHFFFAOYSA-N
Compound name
1-cyclopentyl-2-phenyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.123696 153.5
[M+Na]+ 268.105638 162.2
[M-H]- 244.109144 158.8
[M+NH4]+ 263.150243 169.4
[M+K]+ 284.079578 157.6
[M+H-H2O]+ 228.113680 144.6
[M+HCOO]- 290.114621 173.6
[M+CH3COO]- 304.130271 165.4
[M+Na-2H]- 266.091086 154.1
[M]+ 245.11587142 150.8
[M]- 245.11696858 150.8
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.