CID 4667200

329078-77-5

Structural Information

Molecular Formula
C12H15N5O2S
SMILES
CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C
InChI
InChI=1S/C12H15N5O2S/c1-3-19-10-6-4-9(5-7-10)13-11(18)8-20-12-14-15-16-17(12)2/h4-7H,3,8H2,1-2H3,(H,13,18)
InChIKey
YJALAQUXOGUWNM-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10192 165.0
[M+Na]+ 316.08386 173.9
[M-H]- 292.08736 167.3
[M+NH4]+ 311.12846 177.4
[M+K]+ 332.05780 169.9
[M+H-H2O]+ 276.09190 155.7
[M+HCOO]- 338.09284 181.3
[M+CH3COO]- 352.10849 201.2
[M+Na-2H]- 314.06931 166.5
[M]+ 293.09409 170.0
[M]- 293.09519 170.0
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.