CID 396206

Nsc701758

Structural Information

Molecular Formula
C19H13N3S
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C19H13N3S/c1-3-7-16-12(5-1)14(9-20-16)18-11-23-19(22-18)15-10-21-17-8-4-2-6-13(15)17/h1-11,20-21H
InChIKey
PJCNOTRGTINARI-UHFFFAOYSA-N
Compound name
2,4-bis(1H-indol-3-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

315.083 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09028 169.5
[M+Na]+ 338.07222 183.4
[M-H]- 314.07572 178.1
[M+NH4]+ 333.11682 187.6
[M+K]+ 354.04616 175.4
[M+H-H2O]+ 298.08026 163.6
[M+HCOO]- 360.08120 187.7
[M+CH3COO]- 374.09685 182.3
[M+Na-2H]- 336.05767 170.3
[M]+ 315.08245 173.6
[M]- 315.08355 173.6
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.