CID 137195252

3-({[(3s)-3,4-dihydroxybutyl]oxy}amino)-1h,2'h-2,3'-biindol-2'-one

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-ACFOJGAGSA-N
Compound name
(2R)-4-[(Z)-[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

4
Patents

365.13754 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14482 182.0
[M+Na]+ 388.12676 189.9
[M-H]- 364.13026 185.5
[M+NH4]+ 383.17136 195.1
[M+K]+ 404.10070 183.9
[M+H-H2O]+ 348.13480 174.3
[M+HCOO]- 410.13574 200.7
[M+CH3COO]- 424.15139 191.6
[M+Na-2H]- 386.11221 184.4
[M]+ 365.13699 184.7
[M]- 365.13809 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.