CID 101677547

12-epi-fischerindole u

Structural Information

Molecular Formula
C21H24N2
SMILES
C[C@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])C3=C(C2(C)C)NC4=CC=CC=C43)C=C
InChI
InChI=1S/C21H24N2/c1-6-21(4)12-11-14-17(19(21)22-5)16-13-9-7-8-10-15(13)23-18(16)20(14,2)3/h6-10,14,17,19,23H,1,11-12H2,2-4H3/t14-,17-,19+,21+/m0/s1
InChIKey
NEYJIGPAQAKWSI-QBGRRASTSA-N
Compound name
(6aS,9S,10R,10aS)-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
2
Annotation Hits

2
References

0
Patents

304.19394 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20122 184.9
[M+Na]+ 327.18316 198.0
[M-H]- 303.18666 186.9
[M+NH4]+ 322.22776 205.7
[M+K]+ 343.15710 179.2
[M+H-H2O]+ 287.19120 176.6
[M+HCOO]- 349.19214 196.8
[M+CH3COO]- 363.20779 207.1
[M+Na-2H]- 325.16861 186.6
[M]+ 304.19339 175.8
[M]- 304.19449 175.8
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.