CID 40645

53206-78-3

Structural Information

Molecular Formula
C23H35NO5
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCC(=O)OCCN2CCCCC2)C(=O)OC(C)C
InChI
InChI=1S/C23H35NO5/c1-16(2)19-10-9-18(5)21(23(26)29-17(3)4)22(19)28-15-20(25)27-14-13-24-11-7-6-8-12-24/h9-10,16-17H,6-8,11-15H2,1-5H3
InChIKey
MKXWZVYEVYAFOZ-UHFFFAOYSA-N
Compound name
propan-2-yl 6-methyl-2-[2-oxo-2-(2-piperidin-1-ylethoxy)ethoxy]-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.25153 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.25881 200.3
[M+Na]+ 428.24075 201.7
[M-H]- 404.24425 203.7
[M+NH4]+ 423.28535 209.2
[M+K]+ 444.21469 200.4
[M+H-H2O]+ 388.24879 190.9
[M+HCOO]- 450.24973 213.3
[M+CH3COO]- 464.26538 226.9
[M+Na-2H]- 426.22620 194.3
[M]+ 405.25098 203.1
[M]- 405.25208 203.1
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

patents stripe