CID 484423

Wykyserdxzfckx-pgrdopggsa-n

Structural Information

Molecular Formula
C22H33NO2
SMILES
CC(C)C1=C2CC[C@@H]3[C@@](C2=CC(=C1O)NC(=O)C)(CCCC3(C)C)C
InChI
InChI=1S/C22H33NO2/c1-13(2)19-15-8-9-18-21(4,5)10-7-11-22(18,6)16(15)12-17(20(19)25)23-14(3)24/h12-13,18,25H,7-11H2,1-6H3,(H,23,24)/t18-,22+/m0/s1
InChIKey
WYKYSERDXZFCKX-PGRDOPGGSA-N
Compound name
N-[(4bS,8aS)-2-hydroxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.25113 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.25841 184.2
[M+Na]+ 366.24035 189.7
[M-H]- 342.24385 187.2
[M+NH4]+ 361.28495 203.2
[M+K]+ 382.21429 185.5
[M+H-H2O]+ 326.24839 178.3
[M+HCOO]- 388.24933 195.8
[M+CH3COO]- 402.26498 219.1
[M+Na-2H]- 364.22580 184.4
[M]+ 343.25058 181.3
[M]- 343.25168 181.3
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.