CID 28962798

N-[(1s,2s,4as,7r,8s,8as)-8-hydroxy-1,4a-dimethyl-7-[(2s)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1h-naphthalen-2-yl]cyclopropanecarboxamide

Structural Information

Molecular Formula
C23H38N2O3
SMILES
C[C@@H]1[C@H](CC[C@]2([C@H]1[C@H]([C@H](CC2)[C@H](C)C(=O)N3CCCC3)O)C)NC(=O)C4CC4
InChI
InChI=1S/C23H38N2O3/c1-14(22(28)25-12-4-5-13-25)17-8-10-23(3)11-9-18(15(2)19(23)20(17)26)24-21(27)16-6-7-16/h14-20,26H,4-13H2,1-3H3,(H,24,27)/t14-,15+,17+,18-,19+,20-,23-/m0/s1
InChIKey
HZSDEDOYFCTAET-HKOCDWSSSA-N
Compound name
N-[(1S,2S,4aS,7R,8S,8aS)-8-hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.28824 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.295516 193.8
[M+Na]+ 413.277458 195.6
[M-H]- 389.280964 199.7
[M+NH4]+ 408.322063 202.5
[M+K]+ 429.251398 191.3
[M+H-H2O]+ 373.285500 187.7
[M+HCOO]- 435.286441 201.7
[M+CH3COO]- 449.302091 224.7
[M+Na-2H]- 411.262906 187.3
[M]+ 390.28769142 188.3
[M]- 390.28878858 188.3
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.