CID 59348313

913738-04-2

Structural Information

Molecular Formula
C36H22N2S
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC5=C(C=C4)SC6=C5C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97
InChI
InChI=1S/C36H22N2S/c1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38/h1-22H
InChIKey
SDHNJSIZTIODFW-UHFFFAOYSA-N
Compound name
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3630
Patents

514.1504 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.15768 221.4
[M+Na]+ 537.13962 245.3
[M+NH4]+ 532.18422 234.1
[M+K]+ 553.11356 233.6
[M-H]- 513.14312 233.1
[M+Na-2H]- 535.12507 232.4
[M]+ 514.14985 229.6
[M]- 514.15095 229.6
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