CID 484421

Iqkguuwaezzund-oxjnmpfzsa-n

Structural Information

Molecular Formula
C20H29BrO
SMILES
CC(C)C1=C2CC[C@@H]3[C@@](C2=CC(=C1O)Br)(CCCC3(C)C)C
InChI
InChI=1S/C20H29BrO/c1-12(2)17-13-7-8-16-19(3,4)9-6-10-20(16,5)14(13)11-15(21)18(17)22/h11-12,16,22H,6-10H2,1-5H3/t16-,20+/m0/s1
InChIKey
IQKGUUWAEZZUND-OXJNMPFZSA-N
Compound name
(4bS,8aS)-3-bromo-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.14017 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14745 182.6
[M+Na]+ 387.12939 192.2
[M-H]- 363.13289 188.4
[M+NH4]+ 382.17399 204.6
[M+K]+ 403.10333 179.9
[M+H-H2O]+ 347.13743 183.1
[M+HCOO]- 409.13837 192.6
[M+CH3COO]- 423.15402 214.5
[M+Na-2H]- 385.11484 184.8
[M]+ 364.13962 198.3
[M]- 364.14072 198.3
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.