CID 5275149

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

Structural Information

Molecular Formula
C20H16ClN5OS
SMILES
CN(C1=CC=CC=C1Cl)C(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H16ClN5OS/c1-25(18-11-5-4-10-16(18)21)19(27)13-28-20-22-23-24-26(20)17-12-6-8-14-7-2-3-9-15(14)17/h2-12H,13H2,1H3
InChIKey
SUMFCSCFXZIPSK-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-N-methyl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.07642 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.08370 192.7
[M+Na]+ 432.06564 203.5
[M-H]- 408.06914 200.4
[M+NH4]+ 427.11024 202.4
[M+K]+ 448.03958 196.0
[M+H-H2O]+ 392.07368 182.1
[M+HCOO]- 454.07462 204.4
[M+CH3COO]- 468.09027 202.6
[M+Na-2H]- 430.05109 195.2
[M]+ 409.07587 200.4
[M]- 409.07697 200.4
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.