CID 206552

Brn 1519252

Structural Information

Molecular Formula
C27H33NO6
SMILES
CCCC1(CCN(C1)CCC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C3=CC(=CC=C3)OC(=O)C
InChI
InChI=1S/C27H33NO6/c1-5-12-27(23-7-6-8-24(17-23)32-19(2)29)13-15-28(18-27)14-11-22-9-10-25(33-20(3)30)26(16-22)34-21(4)31/h6-10,16-17H,5,11-15,18H2,1-4H3
InChIKey
LNEQEKZYORILSI-UHFFFAOYSA-N
Compound name
[2-acetyloxy-4-[2-[3-(3-acetyloxyphenyl)-3-propylpyrrolidin-1-yl]ethyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.23077 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.23805 213.5
[M+Na]+ 490.21999 217.3
[M-H]- 466.22349 221.3
[M+NH4]+ 485.26459 223.5
[M+K]+ 506.19393 214.8
[M+H-H2O]+ 450.22803 204.2
[M+HCOO]- 512.22897 230.1
[M+CH3COO]- 526.24462 234.5
[M+Na-2H]- 488.20544 208.4
[M]+ 467.23022 219.2
[M]- 467.23132 219.2
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.