CID 853705

503012-66-6

Structural Information

Molecular Formula
C16H15N5O2S
SMILES
CN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C16H15N5O2S/c1-21-16(18-19-20-21)24-11-15(22)17-12-7-9-14(10-8-12)23-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,22)
InChIKey
SXQBZCPLDIXPDK-UHFFFAOYSA-N
Compound name
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

341.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10192 176.0
[M+Na]+ 364.08386 189.3
[M+NH4]+ 359.12846 182.1
[M+K]+ 380.05780 182.7
[M-H]- 340.08736 179.8
[M+Na-2H]- 362.06931 185.0
[M]+ 341.09409 179.3
[M]- 341.09519 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.