CID 118753190

Chembl3526943

Structural Information

Molecular Formula
C21H23N3O3
SMILES
C[C@@]12[C@@](CCN1CC3=CC=C(C=C3)/C=C/C(=O)N)(C4=C(N2)C=C(C=C4)O)O
InChI
InChI=1S/C21H23N3O3/c1-20-21(27,17-8-7-16(25)12-18(17)23-20)10-11-24(20)13-15-4-2-14(3-5-15)6-9-19(22)26/h2-9,12,23,25,27H,10-11,13H2,1H3,(H2,22,26)/b9-6+/t20-,21+/m0/s1
InChIKey
WCANESPIOIPEPJ-AWTHQZBNSA-N
Compound name
(E)-3-[4-[[(3aS,8bR)-6,8b-dihydroxy-3a-methyl-2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]methyl]phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.17395 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18123 186.4
[M+Na]+ 388.16317 195.1
[M+NH4]+ 383.20777 194.8
[M+K]+ 404.13711 189.8
[M-H]- 364.16667 187.2
[M+Na-2H]- 386.14862 190.5
[M]+ 365.17340 187.7
[M]- 365.17450 187.7
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.