CID 620894

Hfnchzwhavnvkd-uhfffaoysa-n

Structural Information

Molecular Formula
C26H34OSe
SMILES
CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)[Se]C4=CC=CC=C4)C
InChI
InChI=1S/C26H34OSe/c1-18(2)19-11-13-22-20(17-19)12-14-23-25(22,3)15-8-16-26(23,4)24(27)28-21-9-6-5-7-10-21/h5-7,9-10,12,17-18,22-23H,8,11,13-16H2,1-4H3
InChIKey
HFNCHZWHAVNVKD-UHFFFAOYSA-N
Compound name
Se-phenyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboselenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.1775 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.184776 208.5
[M+Na]+ 465.166718 210.8
[M-H]- 441.170224 213.8
[M+NH4]+ 460.211323 224.9
[M+K]+ 481.140658 204.7
[M+H-H2O]+ 425.174760 198.1
[M+HCOO]- 487.175701 217.9
[M+CH3COO]- 501.191351 214.9
[M+Na-2H]- 463.152166 206.3
[M]+ 442.17695142 202.8
[M]- 442.17804858 202.8
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.