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 176.4
[M+Na]+ 364.08386 184.9
[M-H]- 340.08736 181.7
[M+NH4]+ 359.12846 186.2
[M+K]+ 380.05780 179.3
[M+H-H2O]+ 324.09190 165.9
[M+HCOO]- 386.09284 192.8
[M+CH3COO]- 400.10849 186.4
[M+Na-2H]- 362.06931 178.7
[M]+ 341.09409 180.1
[M]- 341.09519 180.1
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.