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 178.4
[M+Na]+ 376.08386 190.3
[M-H]- 352.08736 181.4
[M+NH4]+ 371.12846 188.5
[M+K]+ 392.05780 182.3
[M+H-H2O]+ 336.09190 170.3
[M+HCOO]- 398.09284 191.0
[M+CH3COO]- 412.10849 188.2
[M+Na-2H]- 374.06931 178.6
[M]+ 353.09409 182.2
[M]- 353.09519 182.2
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.