CID 126961235

(3as,6r,7as)-6-ethyl-n-[(2s)-2-ethyl-1-prop-1-en-2-ylcyclopropyl]-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxamide

Structural Information

Molecular Formula
C20H29NO2
SMILES
CC[C@@H]1C[C@H]2[C@H](CCC2=O)C(=C1)C(=O)NC3(C[C@@H]3CC)C(=C)C
InChI
InChI=1S/C20H29NO2/c1-5-13-9-16-15(7-8-18(16)22)17(10-13)19(23)21-20(12(3)4)11-14(20)6-2/h10,13-16H,3,5-9,11H2,1-2,4H3,(H,21,23)/t13-,14+,15+,16+,20?/m1/s1
InChIKey
YKXGLBBFZOVSBK-UWHNRDKOSA-N
Compound name
(3aS,6R,7aS)-6-ethyl-N-[(2S)-2-ethyl-1-prop-1-en-2-ylcyclopropyl]-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 174.1
[M+Na]+ 338.20904 180.8
[M-H]- 314.21254 181.4
[M+NH4]+ 333.25364 188.6
[M+K]+ 354.18298 175.7
[M+H-H2O]+ 298.21708 169.2
[M+HCOO]- 360.21802 190.8
[M+CH3COO]- 374.23367 215.1
[M+Na-2H]- 336.19449 171.8
[M]+ 315.21927 175.1
[M]- 315.22037 175.1
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.