CID 91746136

O-2545

Structural Information

Molecular Formula
C26H36N2O2
SMILES
CC1=CC[C@H]2[C@@H](C1)C3=C(C=C(C=C3OC2(C)C)C(C)(C)CCCCN4C=CN=C4)O
InChI
InChI=1S/C26H36N2O2/c1-18-8-9-21-20(14-18)24-22(29)15-19(16-23(24)30-26(21,4)5)25(2,3)10-6-7-12-28-13-11-27-17-28/h8,11,13,15-17,20-21,29H,6-7,9-10,12,14H2,1-5H3/t20-,21+/m1/s1
InChIKey
RZGSWWCABDVBGX-RTWAWAEBSA-N
Compound name
(6aS,10aR)-3-(6-imidazol-1-yl-2-methylhexan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

408.27768 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.28496 205.0
[M+Na]+ 431.26690 217.7
[M+NH4]+ 426.31150 213.7
[M+K]+ 447.24084 209.8
[M-H]- 407.27040 209.4
[M+Na-2H]- 429.25235 209.2
[M]+ 408.27713 208.4
[M]- 408.27823 208.4
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.