CID 3009652

Methyl (4r,11bs)-4,11b-dimethyl-2,3,4a,5,6,8-hexahydro-1h-naphtho[1,2-f]indole-4-carboxylate

Structural Information

Molecular Formula
C20H25NO2
SMILES
C[C@]12CCC[C@@](C1CCC3=C2C=C4C=CNC4=C3)(C)C(=O)OC
InChI
InChI=1S/C20H25NO2/c1-19-8-4-9-20(2,18(22)23-3)17(19)6-5-13-12-16-14(7-10-21-16)11-15(13)19/h7,10-12,17,21H,4-6,8-9H2,1-3H3/t17?,19-,20-/m1/s1
InChIKey
OUMSBJFAUMUCEL-IPNZSQQUSA-N
Compound name
methyl (4R,11bS)-4,11b-dimethyl-2,3,4a,5,6,8-hexahydro-1H-naphtho[1,2-f]indole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.18854 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 176.7
[M+Na]+ 334.17776 184.6
[M-H]- 310.18126 179.8
[M+NH4]+ 329.22236 198.2
[M+K]+ 350.15170 178.5
[M+H-H2O]+ 294.18580 169.0
[M+HCOO]- 356.18674 189.8
[M+CH3COO]- 370.20239 186.7
[M+Na-2H]- 332.16321 180.2
[M]+ 311.18799 174.9
[M]- 311.18909 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.