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]+ 283.201616 169.7
[M+Na]+ 305.183558 171.6
[M-H]- 281.187064 171.7
[M+NH4]+ 300.228163 184.6
[M+K]+ 321.157498 170.1
[M+H-H2O]+ 265.191600 162.0
[M+HCOO]- 327.192541 190.4
[M+CH3COO]- 341.208191 206.1
[M+Na-2H]- 303.169006 170.2
[M]+ 282.19379142 169.2
[M]- 282.19488858 169.2
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.