CID 212668

24642-38-4

Structural Information

Molecular Formula
C22H31NO2
SMILES
CCN(CC)CC#CC(C)OC(=O)C1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C22H31NO2/c1-4-23(5-2)18-12-13-19(3)25-21(24)22(16-10-7-11-17-22)20-14-8-6-9-15-20/h6,8-9,14-15,19H,4-5,7,10-11,16-18H2,1-3H3
InChIKey
XFRYKIWDVYCTQI-UHFFFAOYSA-N
Compound name
5-(diethylamino)pent-3-yn-2-yl 1-phenylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.24275 186.1
[M+Na]+ 364.22469 195.3
[M+NH4]+ 359.26929 190.9
[M+K]+ 380.19863 183.5
[M-H]- 340.22819 181.6
[M+Na-2H]- 362.21014 189.4
[M]+ 341.23492 185.3
[M]- 341.23602 185.3
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.