CID 155802526

(+)-quiannulatene

Structural Information

Molecular Formula
C25H40
SMILES
C[C@@H]1CC[C@]23[C@H]1CC[C@]2(C(=C4[C@@H]3C[C@@H]5[C@@H](CC[C@]5(C4)C)C(C)C)C)C
InChI
InChI=1S/C25H40/c1-15(2)18-8-10-23(5)14-19-17(4)24(6)11-9-20-16(3)7-12-25(20,24)22(19)13-21(18)23/h15-16,18,20-22H,7-14H2,1-6H3/t16-,18+,20+,21-,22+,23+,24+,25-/m1/s1
InChIKey
KZVSASHATZZHHJ-SBISLLLRSA-N
Compound name
(1S,2R,5R,6S,9R,13S,16S,17R)-5,9,10,13-tetramethyl-16-propan-2-ylpentacyclo[9.7.0.02,6.02,9.013,17]octadec-10-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.313 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.32028 186.7
[M+Na]+ 363.30222 193.0
[M+NH4]+ 358.34682 201.6
[M+K]+ 379.27616 187.2
[M-H]- 339.30572 189.6
[M+Na-2H]- 361.28767 187.7
[M]+ 340.31245 188.8
[M]- 340.31355 188.8
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.