CID 47899

Lcs 22690

Structural Information

Molecular Formula
C15H11N5S
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SC4=NNN=N4
InChI
InChI=1S/C15H11N5S/c1-2-6-10(7-3-1)13-14(21-15-17-19-20-18-15)11-8-4-5-9-12(11)16-13/h1-9,16H,(H,17,18,19,20)
InChIKey
ZSUFRGLXJNHSGH-UHFFFAOYSA-N
Compound name
2-phenyl-3-(2H-tetrazol-5-ylsulfanyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.07352 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08080 162.5
[M+Na]+ 316.06274 174.9
[M-H]- 292.06624 166.2
[M+NH4]+ 311.10734 175.4
[M+K]+ 332.03668 166.8
[M+H-H2O]+ 276.07078 154.0
[M+HCOO]- 338.07172 176.9
[M+CH3COO]- 352.08737 173.6
[M+Na-2H]- 314.04819 165.0
[M]+ 293.07297 163.9
[M]- 293.07407 163.9
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.