CID 57370311

1h,5h-thiepino[3,4-d]carbazole

Structural Information

Molecular Formula
C16H13NS
SMILES
C1C=CSCC2=CC=CC3=NC4=CC=CC=C4C231
InChI
InChI=1S/C16H13NS/c1-2-7-14-13(6-1)16-9-4-10-18-11-12(16)5-3-8-15(16)17-14/h1-8,10H,9,11H2
InChIKey
LRTQOYXOVNYBQK-UHFFFAOYSA-N
Compound name
5-thia-12-azatetracyclo[9.7.0.01,7.013,18]octadeca-3,7,9,11,13,15,17-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.07687 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08415 152.4
[M+Na]+ 274.06609 165.4
[M+NH4]+ 269.11069 164.5
[M+K]+ 290.04003 155.8
[M-H]- 250.06959 157.0
[M+Na-2H]- 272.05154 161.1
[M]+ 251.07632 156.5
[M]- 251.07742 156.5
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.