CID 294160

1-(2-chloroethyl)-3-(2,6-dimethylpiperidino)urea

Structural Information

Molecular Formula
C10H20ClN3O
SMILES
CC1CCCC(N1NC(=O)NCCCl)C
InChI
InChI=1S/C10H20ClN3O/c1-8-4-3-5-9(2)14(8)13-10(15)12-7-6-11/h8-9H,3-7H2,1-2H3,(H2,12,13,15)
InChIKey
NLEASRWRTNQMEE-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(2,6-dimethylpiperidin-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.12949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13677 155.4
[M+Na]+ 256.11871 160.4
[M-H]- 232.12221 156.7
[M+NH4]+ 251.16331 172.5
[M+K]+ 272.09265 157.1
[M+H-H2O]+ 216.12675 149.1
[M+HCOO]- 278.12769 170.9
[M+CH3COO]- 292.14334 194.7
[M+Na-2H]- 254.10416 157.5
[M]+ 233.12894 153.0
[M]- 233.13004 153.0
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.