CID 2923760

Chembl380528

Structural Information

Molecular Formula
C23H18N2O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C(C3=CC(=C(C=C3)O)O)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C23H18N2O2/c26-21-10-9-14(11-22(21)27)23(17-12-24-19-7-3-1-5-15(17)19)18-13-25-20-8-4-2-6-16(18)20/h1-13,23-27H
InChIKey
SVEJYYUKKJRQCO-UHFFFAOYSA-N
Compound name
4-[bis(1H-indol-3-yl)methyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

354.13684 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14412 181.2
[M+Na]+ 377.12606 190.7
[M-H]- 353.12956 187.1
[M+NH4]+ 372.17066 194.1
[M+K]+ 393.10000 181.7
[M+H-H2O]+ 337.13410 173.4
[M+HCOO]- 399.13504 198.4
[M+CH3COO]- 413.15069 191.1
[M+Na-2H]- 375.11151 183.3
[M]+ 354.13629 180.7
[M]- 354.13739 180.7
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

patents stripe