CID 16069591

12-epi-fischerindole g

Structural Information

Molecular Formula
C21H23ClN2
SMILES
C[C@]1([C@@H](C[C@H]2[C@H]([C@H]1[N+]#[C-])C3=C(C2(C)C)NC4=CC=CC=C43)Cl)C=C
InChI
InChI=1S/C21H23ClN2/c1-6-21(4)15(22)11-13-17(19(21)23-5)16-12-9-7-8-10-14(12)24-18(16)20(13,2)3/h6-10,13,15,17,19,24H,1,11H2,2-4H3/t13-,15+,17-,19+,21+/m0/s1
InChIKey
ADPQVXWEVQETCB-AGPIPWNKSA-N
Compound name
(6aS,8R,9S,10R,10aS)-8-chloro-9-ethenyl-10-isocyano-6,6,9-trimethyl-5,6a,7,8,10,10a-hexahydroindeno[2,1-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.15497 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.16225 175.9
[M+Na]+ 361.14419 190.1
[M+NH4]+ 356.18879 184.9
[M+K]+ 377.11813 179.2
[M-H]- 337.14769 172.3
[M+Na-2H]- 359.12964 178.0
[M]+ 338.15442 176.8
[M]- 338.15552 176.8
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.