CID 98823

42471-45-4

Structural Information

Molecular Formula
C12H24ClN3O
SMILES
CC1(CC(CC(N1)(C)C)NC(=O)NCCCl)C
InChI
InChI=1S/C12H24ClN3O/c1-11(2)7-9(8-12(3,4)16-11)15-10(17)14-6-5-13/h9,16H,5-8H2,1-4H3,(H2,14,15,17)
InChIKey
HHZLNPBEMOKWCN-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.1608 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16808 159.5
[M+Na]+ 284.15002 165.1
[M-H]- 260.15352 159.9
[M+NH4]+ 279.19462 178.9
[M+K]+ 300.12396 161.3
[M+H-H2O]+ 244.15806 155.6
[M+HCOO]- 306.15900 173.0
[M+CH3COO]- 320.17465 197.5
[M+Na-2H]- 282.13547 163.0
[M]+ 261.16025 156.8
[M]- 261.16135 156.8
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

patents stripe