CID 544877

1-benzyl-3-cyclohexylurea

Structural Information

Molecular Formula
C14H20N2O
SMILES
C1CCC(CC1)NC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C14H20N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,15,16,17)
InChIKey
OOAFBZIRZNUNQV-UHFFFAOYSA-N
Compound name
1-benzyl-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

13
Patents

232.15756 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 153.7
[M+Na]+ 255.14678 155.6
[M-H]- 231.15028 158.9
[M+NH4]+ 250.19138 170.2
[M+K]+ 271.12072 152.7
[M+H-H2O]+ 215.15482 145.7
[M+HCOO]- 277.15576 175.3
[M+CH3COO]- 291.17141 193.6
[M+Na-2H]- 253.13223 158.4
[M]+ 232.15701 147.0
[M]- 232.15811 147.0
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