CID 5275082

Acetamide, n-[2-(methylthio)phenyl]-2-[[1-(1-naphthalenyl)-1h-tetrazol-5-yl]thio]-

Structural Information

Molecular Formula
C20H17N5OS2
SMILES
CSC1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H17N5OS2/c1-27-18-12-5-4-10-16(18)21-19(26)13-28-20-22-23-24-25(20)17-11-6-8-14-7-2-3-9-15(14)17/h2-12H,13H2,1H3,(H,21,26)
InChIKey
QGFLABQKLDKRFE-UHFFFAOYSA-N
Compound name
N-(2-methylsulfanylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.08746 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.09474 189.7
[M+Na]+ 430.07668 200.7
[M-H]- 406.08018 195.9
[M+NH4]+ 425.12128 198.8
[M+K]+ 446.05062 191.8
[M+H-H2O]+ 390.08472 180.8
[M+HCOO]- 452.08566 200.9
[M+CH3COO]- 466.10131 199.0
[M+Na-2H]- 428.06213 192.2
[M]+ 407.08691 195.1
[M]- 407.08801 195.1
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.