CID 495009

Solasodiene

Structural Information

Molecular Formula
C27H41NO
SMILES
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC=C6)C)C)C)NC1
InChI
InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3
InChIKey
OYNIUJOJEWHJPN-UHFFFAOYSA-N
Compound name
5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-diene-6,2'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

395.31882 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.32610 203.5
[M+Na]+ 418.30804 207.9
[M-H]- 394.31154 207.8
[M+NH4]+ 413.35264 224.6
[M+K]+ 434.28198 199.8
[M+H-H2O]+ 378.31608 193.5
[M+HCOO]- 440.31702 205.1
[M+CH3COO]- 454.33267 209.4
[M+Na-2H]- 416.29349 198.3
[M]+ 395.31827 192.9
[M]- 395.31937 192.9
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

patents stripe