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]+ 246.12370 155.2
[M+Na]+ 268.10564 167.4
[M+NH4]+ 263.15024 161.9
[M+K]+ 284.07958 165.2
[M-H]- 244.10914 157.6
[M+Na-2H]- 266.09109 161.9
[M]+ 245.11587 157.3
[M]- 245.11697 157.3
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.