CID 159701

3,3'-diindolyl-2,2'-tetrasulfide

Structural Information

Molecular Formula
C16H10N2S4
SMILES
C1=CC=C2C(=C1)C3=C(N2)SSSSC4=C3C5=CC=CC=C5N4
InChI
InChI=1S/C16H10N2S4/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12(10)18-16(14)20-22-21-19-15(13)17-11/h1-8,17-18H
InChIKey
XUUYUSCFRNBOCJ-UHFFFAOYSA-N
Compound name
11,12,13,14-tetrathia-9,16-diazapentacyclo[13.7.0.02,10.03,8.017,22]docosa-1(15),2(10),3,5,7,17,19,21-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

19
Patents

357.9727 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.97998 166.5
[M+Na]+ 380.96192 174.6
[M-H]- 356.96542 167.4
[M+NH4]+ 376.00652 174.6
[M+K]+ 396.93586 171.1
[M+H-H2O]+ 340.96996 165.2
[M+HCOO]- 402.97090 166.4
[M+CH3COO]- 416.98655 170.1
[M+Na-2H]- 378.94737 166.4
[M]+ 357.97215 167.3
[M]- 357.97325 167.3
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