CID 25740

13140-89-1

Structural Information

Molecular Formula
C12H16N2O
SMILES
C1CCC(C1)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C12H16N2O/c15-12(14-11-8-4-5-9-11)13-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H2,13,14,15)
InChIKey
KODZEKGCUPWVLU-UHFFFAOYSA-N
Compound name
1-cyclopentyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

92
Patents

204.12627 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 145.5
[M+Na]+ 227.11549 149.1
[M-H]- 203.11899 151.4
[M+NH4]+ 222.16009 165.0
[M+K]+ 243.08943 146.6
[M+H-H2O]+ 187.12353 138.1
[M+HCOO]- 249.12447 169.9
[M+CH3COO]- 263.14012 187.1
[M+Na-2H]- 225.10094 149.8
[M]+ 204.12572 140.3
[M]- 204.12682 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe