CID 4183839

N-cyclohexyl-n'-(4-(diethylamino)-1-methylbutyl)urea

Structural Information

Molecular Formula
C16H33N3O
SMILES
CCN(CC)CCCC(C)NC(=O)NC1CCCCC1
InChI
InChI=1S/C16H33N3O/c1-4-19(5-2)13-9-10-14(3)17-16(20)18-15-11-7-6-8-12-15/h14-15H,4-13H2,1-3H3,(H2,17,18,20)
InChIKey
YEQZUGWOEXKKRH-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.26236 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.26964 175.3
[M+Na]+ 306.25158 174.0
[M-H]- 282.25508 177.8
[M+NH4]+ 301.29618 190.3
[M+K]+ 322.22552 173.4
[M+H-H2O]+ 266.25962 167.0
[M+HCOO]- 328.26056 195.1
[M+CH3COO]- 342.27621 213.5
[M+Na-2H]- 304.23703 174.4
[M]+ 283.26181 171.7
[M]- 283.26291 171.7
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.