CID 167715398

3-(2-ethoxyethoxy)-1-{[(4s)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methyl}urea

Structural Information

Molecular Formula
C15H26N2O3
SMILES
CCOCCONC(=O)NCC1=CC[C@H](CC1)C(=C)C
InChI
InChI=1S/C15H26N2O3/c1-4-19-9-10-20-17-15(18)16-11-13-5-7-14(8-6-13)12(2)3/h5,14H,2,4,6-11H2,1,3H3,(H2,16,17,18)/t14-/m1/s1
InChIKey
DNYSUADCWQDLFO-CQSZACIVSA-N
Compound name
1-(2-ethoxyethoxy)-3-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.19434 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.20162 169.9
[M+Na]+ 305.18356 176.5
[M+NH4]+ 300.22816 175.3
[M+K]+ 321.15750 171.4
[M-H]- 281.18706 170.6
[M+Na-2H]- 303.16901 172.0
[M]+ 282.19379 170.4
[M]- 282.19489 170.4
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.