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]+ 392.243146 196.5
[M+Na]+ 414.225088 198.6
[M-H]- 390.228594 200.1
[M+NH4]+ 409.269693 206.1
[M+K]+ 430.199028 196.9
[M+H-H2O]+ 374.233130 187.0
[M+HCOO]- 436.234071 210.9
[M+CH3COO]- 450.249721 223.0
[M+Na-2H]- 412.210536 192.2
[M]+ 391.23532142 199.6
[M]- 391.23641858 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.