CID 40207

Brn 1268591

Structural Information

Molecular Formula
C21H31NO5
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCC(=O)OCCN2CCCCC2)C(=O)OC
InChI
InChI=1S/C21H31NO5/c1-15(2)17-9-8-16(3)19(21(24)25-4)20(17)27-14-18(23)26-13-12-22-10-6-5-7-11-22/h8-9,15H,5-7,10-14H2,1-4H3
InChIKey
ZOXROYAHTWXWDS-UHFFFAOYSA-N
Compound name
methyl 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

377.2202 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22748 192.0
[M+Na]+ 400.20942 194.6
[M-H]- 376.21292 195.8
[M+NH4]+ 395.25402 202.2
[M+K]+ 416.18336 193.1
[M+H-H2O]+ 360.21746 182.7
[M+HCOO]- 422.21840 206.7
[M+CH3COO]- 436.23405 220.1
[M+Na-2H]- 398.19487 188.2
[M]+ 377.21965 194.7
[M]- 377.22075 194.7
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.