CID 118753026

Chembl3526395

Structural Information

Molecular Formula
C21H23N3O3
SMILES
C[C@@]12[C@@](CCN1CC3=CC=C(C=C3)/C=C/C(=O)NO)(C4=CC=CC=C4N2)O
InChI
InChI=1S/C21H23N3O3/c1-20-21(26,17-4-2-3-5-18(17)22-20)12-13-24(20)14-16-8-6-15(7-9-16)10-11-19(25)23-27/h2-11,22,26-27H,12-14H2,1H3,(H,23,25)/b11-10+/t20-,21+/m0/s1
InChIKey
XSPCNQCXKLBQPJ-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]-N-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.17395 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18123 186.7
[M+Na]+ 388.16317 195.4
[M+NH4]+ 383.20777 195.3
[M+K]+ 404.13711 189.6
[M-H]- 364.16667 187.6
[M+Na-2H]- 386.14862 191.5
[M]+ 365.17340 188.1
[M]- 365.17450 188.1
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.