CID 396208

Nsc701760

Structural Information

Molecular Formula
C19H12BrN3S
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=C4C=CC(=C5)Br
InChI
InChI=1S/C19H12BrN3S/c20-11-5-6-13-15(9-22-17(13)7-11)19-23-18(10-24-19)14-8-21-16-4-2-1-3-12(14)16/h1-10,21-22H
InChIKey
PDEHLQUHOVEXKO-UHFFFAOYSA-N
Compound name
2-(6-bromo-1H-indol-3-yl)-4-(1H-indol-3-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.99353 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.00081 177.4
[M+Na]+ 415.98275 194.6
[M-H]- 391.98625 188.8
[M+NH4]+ 411.02735 196.6
[M+K]+ 431.95669 181.0
[M+H-H2O]+ 375.99079 179.3
[M+HCOO]- 437.99173 193.9
[M+CH3COO]- 452.00738 191.9
[M+Na-2H]- 413.96820 179.2
[M]+ 392.99298 200.0
[M]- 392.99408 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

No patent data available for this compound.