CID 209545

19985-20-7

Structural Information

Molecular Formula
C14H27N3O
SMILES
CC(C)NC(=O)NC1CCN(C1)C2CCCCC2
InChI
InChI=1S/C14H27N3O/c1-11(2)15-14(18)16-12-8-9-17(10-12)13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3,(H2,15,16,18)
InChIKey
WBNZGIQYZGXCBT-UHFFFAOYSA-N
Compound name
1-(1-cyclohexylpyrrolidin-3-yl)-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.21541 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.22269 164.1
[M+Na]+ 276.20463 164.3
[M-H]- 252.20813 167.5
[M+NH4]+ 271.24923 180.2
[M+K]+ 292.17857 162.5
[M+H-H2O]+ 236.21267 155.7
[M+HCOO]- 298.21361 181.1
[M+CH3COO]- 312.22926 199.0
[M+Na-2H]- 274.19008 162.4
[M]+ 253.21486 155.5
[M]- 253.21596 155.5
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.