CID 3050379

Lcs 22728

Structural Information

Molecular Formula
C17H15N5S
SMILES
CC1=CC2=C(C=C1)NC(=C2SCC3=NNN=N3)C4=CC=CC=C4
InChI
InChI=1S/C17H15N5S/c1-11-7-8-14-13(9-11)17(23-10-15-19-21-22-20-15)16(18-14)12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,19,20,21,22)
InChIKey
GHRUJPAVDXYFMT-UHFFFAOYSA-N
Compound name
5-methyl-2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.10483 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11211 171.9
[M+Na]+ 344.09405 187.7
[M+NH4]+ 339.13865 179.5
[M+K]+ 360.06799 181.3
[M-H]- 320.09755 175.6
[M+Na-2H]- 342.07950 180.5
[M]+ 321.10428 175.7
[M]- 321.10538 175.7
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.