CID 40644

Brn 1269235

Structural Information

Molecular Formula
C22H33NO5
SMILES
CCOC(=O)C1=C(C=CC(=C1OCC(=O)OCCN2CCCCC2)C(C)C)C
InChI
InChI=1S/C22H33NO5/c1-5-26-22(25)20-17(4)9-10-18(16(2)3)21(20)28-15-19(24)27-14-13-23-11-7-6-8-12-23/h9-10,16H,5-8,11-15H2,1-4H3
InChIKey
AABQVBFXZKSBOW-UHFFFAOYSA-N
Compound name
ethyl 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

391.23587 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.24315 196.5
[M+Na]+ 414.22509 198.6
[M-H]- 390.22859 200.1
[M+NH4]+ 409.26969 206.1
[M+K]+ 430.19903 196.9
[M+H-H2O]+ 374.23313 187.0
[M+HCOO]- 436.23407 210.9
[M+CH3COO]- 450.24972 223.0
[M+Na-2H]- 412.21054 192.2
[M]+ 391.23532 199.6
[M]- 391.23642 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.