CID 484414

Lkbgrhbphcsqna-gbxckjpgsa-n

Structural Information

Molecular Formula
C24H35NO3
SMILES
CC(C)C1=C2CC[C@@H]3[C@@](C2=CC(=C1OC(=O)C)NC(=O)C)(CCCC3(C)C)C
InChI
InChI=1S/C24H35NO3/c1-14(2)21-17-9-10-20-23(5,6)11-8-12-24(20,7)18(17)13-19(25-15(3)26)22(21)28-16(4)27/h13-14,20H,8-12H2,1-7H3,(H,25,26)/t20-,24+/m0/s1
InChIKey
LKBGRHBPHCSQNA-GBXCKJPGSA-N
Compound name
[(4bS,8aS)-3-acetamido-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.2617 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.26898 193.6
[M+Na]+ 408.25092 198.5
[M-H]- 384.25442 197.5
[M+NH4]+ 403.29552 211.4
[M+K]+ 424.22486 195.5
[M+H-H2O]+ 368.25896 187.3
[M+HCOO]- 430.25990 205.4
[M+CH3COO]- 444.27555 229.0
[M+Na-2H]- 406.23637 192.5
[M]+ 385.26115 193.3
[M]- 385.26225 193.3
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.