CID 28963025

(2s)-2-[(1s,2r,4as,7s,8s,8as)-1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1h-naphthalen-2-yl]-n,n-diethylpropanamide

Structural Information

Molecular Formula
C23H42N2O4
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)CCOC)C
InChI
InChI=1S/C23H42N2O4/c1-7-25(8-2)22(28)15(3)17-9-12-23(5)13-10-18(16(4)20(23)21(17)27)24-19(26)11-14-29-6/h15-18,20-21,27H,7-14H2,1-6H3,(H,24,26)/t15-,16+,17+,18-,20+,21-,23-/m0/s1
InChIKey
ZMTNVOAFBYOAJO-SRFJVHTCSA-N
Compound name
(2S)-2-[(1S,2R,4aS,7S,8S,8aS)-1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N,N-diethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.31445 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.321726 202.8
[M+Na]+ 433.303668 202.6
[M-H]- 409.307174 204.4
[M+NH4]+ 428.348273 215.8
[M+K]+ 449.277608 201.8
[M+H-H2O]+ 393.311710 196.5
[M+HCOO]- 455.312651 214.1
[M+CH3COO]- 469.328301 236.2
[M+Na-2H]- 431.289116 197.2
[M]+ 410.31390142 201.4
[M]- 410.31499858 201.4
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.