CID 28962758

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

Structural Information

Molecular Formula
C23H40N2O3
SMILES
C[C@@H]1[C@H](CC[C@]2([C@H]1[C@H]([C@H](CC2)[C@H](C)C(=O)NC(C)(C)C)O)C)NC(=O)C3CC3
InChI
InChI=1S/C23H40N2O3/c1-13(20(27)25-22(3,4)5)16-9-11-23(6)12-10-17(14(2)18(23)19(16)26)24-21(28)15-7-8-15/h13-19,26H,7-12H2,1-6H3,(H,24,28)(H,25,27)/t13-,14+,16+,17-,18+,19-,23-/m0/s1
InChIKey
KGCTXUWYGUPIRS-LBDMRUSOSA-N
Compound name
N-[(1S,2S,4aS,7R,8S,8aS)-7-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-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

392.3039 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.311176 190.6
[M+Na]+ 415.293118 192.9
[M-H]- 391.296624 195.2
[M+NH4]+ 410.337723 199.4
[M+K]+ 431.267058 189.8
[M+H-H2O]+ 375.301160 186.2
[M+HCOO]- 437.302101 200.1
[M+CH3COO]- 451.317751 230.3
[M+Na-2H]- 413.278566 188.1
[M]+ 392.30335142 188.2
[M]- 392.30444858 188.2
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.