CID 28962767

N-[(1s,2s,4as,7r,8s,8as)-7-[(2s)-1-(diethylamino)-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
CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@]2(CC[C@@H]([C@H]([C@@H]2[C@H]1O)C)NC(=O)C3CC3)C
InChI
InChI=1S/C23H40N2O3/c1-6-25(7-2)22(28)14(3)17-10-12-23(5)13-11-18(15(4)19(23)20(17)26)24-21(27)16-8-9-16/h14-20,26H,6-13H2,1-5H3,(H,24,27)/t14-,15+,17+,18-,19+,20-,23-/m0/s1
InChIKey
QESXGMPOBFHENL-HKOCDWSSSA-N
Compound name
N-[(1S,2S,4aS,7R,8S,8aS)-7-[(2S)-1-(diethylamino)-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

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.311176 192.6
[M+Na]+ 415.293118 194.6
[M-H]- 391.296624 198.3
[M+NH4]+ 410.337723 201.8
[M+K]+ 431.267058 192.1
[M+H-H2O]+ 375.301160 187.1
[M+HCOO]- 437.302101 204.0
[M+CH3COO]- 451.317751 233.5
[M+Na-2H]- 413.278566 188.0
[M]+ 392.30335142 191.7
[M]- 392.30444858 191.7
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.