CID 71447337

Bis-indole alkaloid

Structural Information

Molecular Formula
C18H11BrN2O2
SMILES
C1=CC2=C(C=C1Br)NC3=C2C=CC4=C3C5=CC(=C(C=C5N4)O)O
InChI
InChI=1S/C18H11BrN2O2/c19-8-1-2-9-10-3-4-12-17(18(10)21-13(9)5-8)11-6-15(22)16(23)7-14(11)20-12/h1-7,20-23H
InChIKey
TYGUTURXHKSOBP-UHFFFAOYSA-N
Compound name
10-bromo-5,12-dihydroindolo[2,3-g]carbazole-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

260
Patents

366.0004 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.00768 178.8
[M+Na]+ 388.98962 195.2
[M-H]- 364.99312 184.1
[M+NH4]+ 384.03422 198.2
[M+K]+ 404.96356 180.6
[M+H-H2O]+ 348.99766 179.7
[M+HCOO]- 410.99860 194.7
[M+CH3COO]- 425.01425 191.9
[M+Na-2H]- 386.97507 185.1
[M]+ 365.99985 200.0
[M]- 366.00095 200.0
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