CID 10362854

100071-89-4

Structural Information

Molecular Formula
C23H32O5
SMILES
CC[C@]12CC(=O)[C@@H]3[C@H]4CCC5(CC4=CC[C@H]3[C@@H]1CCC26OCCO6)OCCO5
InChI
InChI=1S/C23H32O5/c1-2-21-14-19(24)20-16-5-7-22(25-9-10-26-22)13-15(16)3-4-17(20)18(21)6-8-23(21)27-11-12-28-23/h3,16-18,20H,2,4-14H2,1H3/t16-,17-,18-,20+,21-/m0/s1
InChIKey
OTUDDHCOXSWENM-RDIJVOARSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.22498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.23226 189.9
[M+Na]+ 411.21420 194.6
[M-H]- 387.21770 200.1
[M+NH4]+ 406.25880 209.6
[M+K]+ 427.18814 193.3
[M+H-H2O]+ 371.22224 185.7
[M+HCOO]- 433.22318 194.9
[M+CH3COO]- 447.23883 198.5
[M+Na-2H]- 409.19965 188.0
[M]+ 388.22443 185.0
[M]- 388.22553 185.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.