CID 118753027

Chembl3526396

Structural Information

Molecular Formula
C21H23N3O2
SMILES
C[C@@]12[C@@](CCN1CC3=CC=C(C=C3)/C=C/C(=O)N)(C4=CC=CC=C4N2)O
InChI
InChI=1S/C21H23N3O2/c1-20-21(26,17-4-2-3-5-18(17)23-20)12-13-24(20)14-16-8-6-15(7-9-16)10-11-19(22)25/h2-11,23,26H,12-14H2,1H3,(H2,22,25)/b11-10+/t20-,21+/m0/s1
InChIKey
GSUOTZHCHGUHCC-HRZVIGLNSA-N
Compound name
(E)-3-[4-[[(3aS,8bR)-8b-hydroxy-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

349.17902 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 183.7
[M+Na]+ 372.16824 193.1
[M+NH4]+ 367.21284 193.0
[M+K]+ 388.14218 186.7
[M-H]- 348.17174 185.5
[M+Na-2H]- 370.15369 189.0
[M]+ 349.17847 185.5
[M]- 349.17957 185.5
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.