CID 47904

66354-98-1

Structural Information

Molecular Formula
C17H15N5OS
SMILES
COC1=CC2=C(C=C1)C(=C(N2)C3=CC=CC=C3)SCC4=NNN=N4
InChI
InChI=1S/C17H15N5OS/c1-23-12-7-8-13-14(9-12)18-16(11-5-3-2-4-6-11)17(13)24-10-15-19-21-22-20-15/h2-9,18H,10H2,1H3,(H,19,20,21,22)
InChIKey
LWINWUPFKQISOL-UHFFFAOYSA-N
Compound name
6-methoxy-2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.09973 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10701 174.9
[M+Na]+ 360.08895 186.8
[M-H]- 336.09245 178.7
[M+NH4]+ 355.13355 186.2
[M+K]+ 376.06289 178.9
[M+H-H2O]+ 320.09699 166.2
[M+HCOO]- 382.09793 188.8
[M+CH3COO]- 396.11358 185.2
[M+Na-2H]- 358.07440 175.9
[M]+ 337.09918 178.6
[M]- 337.10028 178.6
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.