CID 21778722

3-[2-[(1r,3s,4as,7s,8as)-7-chloro-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]ethyl]pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C20H30ClNO3
SMILES
C[C@]12C[C@H](CC([C@@H]1C[C@@H](C(=C)[C@@H]2CCC3CC(=O)NC3=O)O)(C)C)Cl
InChI
InChI=1S/C20H30ClNO3/c1-11-14(6-5-12-7-17(24)22-18(12)25)20(4)10-13(21)9-19(2,3)16(20)8-15(11)23/h12-16,23H,1,5-10H2,2-4H3,(H,22,24,25)/t12?,13-,14-,15-,16-,20+/m0/s1
InChIKey
SRDHHMUVZQNDOM-LSDPYLOXSA-N
Compound name
3-[2-[(1R,3S,4aS,7S,8aS)-7-chloro-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1914 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19868 187.4
[M+Na]+ 390.18062 194.6
[M-H]- 366.18412 190.0
[M+NH4]+ 385.22522 205.4
[M+K]+ 406.15456 187.0
[M+H-H2O]+ 350.18866 183.1
[M+HCOO]- 412.18960 192.2
[M+CH3COO]- 426.20525 213.2
[M+Na-2H]- 388.16607 182.8
[M]+ 367.19085 182.7
[M]- 367.19195 182.7
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.