CID 3087454

114648-88-3

Structural Information

Molecular Formula
C24H33NO4
SMILES
CN1C2CCC1CC(C2)OC(=O)CC(C3=CC=CC=C3)C(=O)OC4CCCCC4
InChI
InChI=1S/C24H33NO4/c1-25-18-12-13-19(25)15-21(14-18)28-23(26)16-22(17-8-4-2-5-9-17)24(27)29-20-10-6-3-7-11-20/h2,4-5,8-9,18-22H,3,6-7,10-16H2,1H3
InChIKey
NCKFIMYMABLVAR-UHFFFAOYSA-N
Compound name
1-O-cyclohexyl 4-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.24097 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.24825 198.2
[M+Na]+ 422.23019 205.9
[M+NH4]+ 417.27479 204.9
[M+K]+ 438.20413 201.7
[M-H]- 398.23369 200.9
[M+Na-2H]- 420.21564 199.8
[M]+ 399.24042 199.6
[M]- 399.24152 199.6
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.