CID 40659

53206-93-2

Structural Information

Molecular Formula
C21H33NO5
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCC(=O)OCCCN(C)C)C(=O)OC(C)C
InChI
InChI=1S/C21H33NO5/c1-14(2)17-10-9-16(5)19(21(24)27-15(3)4)20(17)26-13-18(23)25-12-8-11-22(6)7/h9-10,14-15H,8,11-13H2,1-7H3
InChIKey
JTNZXOJENVIQTO-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[2-[3-(dimethylamino)propoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.23587 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.24315 193.9
[M+Na]+ 402.22509 197.6
[M-H]- 378.22859 198.1
[M+NH4]+ 397.26969 206.5
[M+K]+ 418.19903 198.2
[M+H-H2O]+ 362.23313 186.0
[M+HCOO]- 424.23407 213.5
[M+CH3COO]- 438.24972 229.8
[M+Na-2H]- 400.21054 188.8
[M]+ 379.23532 203.1
[M]- 379.23642 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

No patent data available for this compound.