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 153.5
[M+Na]+ 268.10564 162.2
[M-H]- 244.10914 158.8
[M+NH4]+ 263.15024 169.4
[M+K]+ 284.07958 157.6
[M+H-H2O]+ 228.11368 144.6
[M+HCOO]- 290.11462 173.6
[M+CH3COO]- 304.13027 165.4
[M+Na-2H]- 266.09109 154.1
[M]+ 245.11587 150.8
[M]- 245.11697 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.