CID 3050384

Lcs 26207

Structural Information

Molecular Formula
C17H15N5O2S
SMILES
COC1=C(C=CC(=C1)C2=C(C3=CC=CC=C3N2)SCC4=NNN=N4)O
InChI
InChI=1S/C17H15N5O2S/c1-24-14-8-10(6-7-13(14)23)16-17(25-9-15-19-21-22-20-15)11-4-2-3-5-12(11)18-16/h2-8,18,23H,9H2,1H3,(H,19,20,21,22)
InChIKey
AEKPLPDJXSSWDO-UHFFFAOYSA-N
Compound name
2-methoxy-4-[3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indol-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.09464 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10192 180.1
[M+Na]+ 376.08386 194.6
[M+NH4]+ 371.12846 186.2
[M+K]+ 392.05780 189.9
[M-H]- 352.08736 182.6
[M+Na-2H]- 374.06931 187.0
[M]+ 353.09409 183.2
[M]- 353.09519 183.2
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.