CID 47900

66354-90-3

Structural Information

Molecular Formula
C16H13N5S
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCC4=NNN=N4
InChI
InChI=1S/C16H13N5S/c1-2-6-11(7-3-1)15-16(22-10-14-18-20-21-19-14)12-8-4-5-9-13(12)17-15/h1-9,17H,10H2,(H,18,19,20,21)
InChIKey
FKWWOWZDEPIERM-UHFFFAOYSA-N
Compound name
2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.08917 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09645 166.6
[M+Na]+ 330.07839 182.2
[M+NH4]+ 325.12299 174.3
[M+K]+ 346.05233 175.9
[M-H]- 306.08189 170.3
[M+Na-2H]- 328.06384 175.8
[M]+ 307.08862 170.3
[M]- 307.08972 170.3
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.