CID 90859392

3,6-di(2-thienyl)carbazole

Structural Information

Molecular Formula
C20H13NS2
SMILES
C1=CSC(=C1)C2=CC3=C(C=C2)NC4=C3C=C(C=C4)C5=CC=CS5
InChI
InChI=1S/C20H13NS2/c1-3-19(22-9-1)13-5-7-17-15(11-13)16-12-14(6-8-18(16)21-17)20-4-2-10-23-20/h1-12,21H
InChIKey
VFFMMTGRCBFHJJ-UHFFFAOYSA-N
Compound name
3,6-dithiophen-2-yl-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

331.04895 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.05623 175.0
[M+Na]+ 354.03817 190.4
[M-H]- 330.04167 187.3
[M+NH4]+ 349.08277 196.6
[M+K]+ 370.01211 182.8
[M+H-H2O]+ 314.04621 171.8
[M+HCOO]- 376.04715 192.2
[M+CH3COO]- 390.06280 189.0
[M+Na-2H]- 352.02362 174.7
[M]+ 331.04840 182.1
[M]- 331.04950 182.1
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