CID 135566355

(2z,3e)-2,3'-biindole-2',3(1h,1'h)-dione 3-{o-[(3r)-3,4-dihydroxybutyl]oxime}

Structural Information

Molecular Formula
C20H19N3O4
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)C\3=NC4=CC=CC=C4/C3=N\OCC[C@H](CO)O
InChI
InChI=1S/C20H19N3O4/c24-11-12(25)9-10-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)26/h1-8,12,22,24-26H,9-11H2/b23-18+/t12-/m1/s1
InChIKey
TWOSIFOFWWXXIG-DMURRPNXSA-N
Compound name
(2R)-4-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxybutane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

365.13754 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.144816 182.0
[M+Na]+ 388.126758 189.9
[M-H]- 364.130264 185.5
[M+NH4]+ 383.171363 195.1
[M+K]+ 404.100698 183.9
[M+H-H2O]+ 348.134800 174.3
[M+HCOO]- 410.135741 200.7
[M+CH3COO]- 424.151391 191.6
[M+Na-2H]- 386.112206 184.4
[M]+ 365.13699142 184.7
[M]- 365.13808858 184.7
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.