CID 484420

84104-89-2

Structural Information

Molecular Formula

C₂₀H₂₉NO₃

SMILES

CC(C)C1=C2CC[C@@H]3[C@@](C2=CC(=C1O)[N+](=O)[O-])(CCCC3(C)C)C

InChI

InChI=1S/C20H29NO3/c1-12(2)17-13-7-8-16-19(3,4)9-6-10-20(16,5)14(13)11-15(18(17)22)21(23)24/h11-12,16,22H,6-10H2,1-5H3/t16-,20+/m0/s1

InChIKey

ZVJWPUYUNZNFGL-OXJNMPFZSA-N

Compound name

(4bS,8aS)-4b,8,8-trimethyl-3-nitro-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: 331.21475 Da
Monoisotopic Mass: 7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	332.222026	178.2
[M+Na]+	354.203968	183.5
[M-H]-	330.207474	181.3
[M+NH4]+	349.248573	196.9
[M+K]+	370.177908	175.8
[M+H-H2O]+	314.212010	176.9
[M+HCOO]-	376.212951	191.2
[M+CH3COO]-	390.228601	207.6
[M+Na-2H]-	352.189416	181.6
[M]+	331.21420142	174.2
[M]-	331.21529858	174.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.