CID 5275083

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

Structural Information

Molecular Formula
C20H17N5O3S2
SMILES
CS(=O)(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H17N5O3S2/c1-30(27,28)18-12-5-4-10-16(18)21-19(26)13-29-20-22-23-24-25(20)17-11-6-8-14-7-2-3-9-15(14)17/h2-12H,13H2,1H3,(H,21,26)
InChIKey
YDWWSLJBCSERMS-UHFFFAOYSA-N
Compound name
N-(2-methylsulfonylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.07727 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.08455 200.6
[M+Na]+ 462.06649 211.3
[M-H]- 438.06999 207.0
[M+NH4]+ 457.11109 207.9
[M+K]+ 478.04043 203.2
[M+H-H2O]+ 422.07453 192.0
[M+HCOO]- 484.07547 210.8
[M+CH3COO]- 498.09112 209.2
[M+Na-2H]- 460.05194 204.5
[M]+ 439.07672 206.6
[M]- 439.07782 206.6
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.