CID 410345

Brn 2668897

Structural Information

Molecular Formula
C20H31NO3
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2(CCCCC2)O
InChI
InChI=1S/C20H31NO3/c1-3-21(4-2)15-16-24-19(22)18(17-11-7-5-8-12-17)20(23)13-9-6-10-14-20/h5,7-8,11-12,18,23H,3-4,6,9-10,13-16H2,1-2H3
InChIKey
KTWQAWSQSOISLN-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(1-hydroxycyclohexyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.2304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.23768 184.7
[M+Na]+ 356.21962 184.9
[M-H]- 332.22312 189.1
[M+NH4]+ 351.26422 199.0
[M+K]+ 372.19356 183.3
[M+H-H2O]+ 316.22766 176.5
[M+HCOO]- 378.22860 201.5
[M+CH3COO]- 392.24425 212.6
[M+Na-2H]- 354.20507 184.4
[M]+ 333.22985 182.7
[M]- 333.23095 182.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.