CID 297589

4079-26-9

Structural Information

Molecular Formula
C15H11NS
SMILES
C1C2=C(C3=CC=CC=C3S1)NC4=CC=CC=C24
InChI
InChI=1S/C15H11NS/c1-3-7-13-10(5-1)12-9-17-14-8-4-2-6-11(14)15(12)16-13/h1-8,16H,9H2
InChIKey
ZGOOPZVQMLHPFM-UHFFFAOYSA-N
Compound name
6,11-dihydrothiochromeno[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

117
Patents

237.06122 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06850 146.9
[M+Na]+ 260.05044 158.3
[M-H]- 236.05394 151.4
[M+NH4]+ 255.09504 168.7
[M+K]+ 276.02438 151.5
[M+H-H2O]+ 220.05848 141.3
[M+HCOO]- 282.05942 162.4
[M+CH3COO]- 296.07507 160.0
[M+Na-2H]- 258.03589 154.1
[M]+ 237.06067 148.5
[M]- 237.06177 148.5
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