CID 5275108

Acetamide, n-(2-chloro-4-hydroxyphenyl)-2-[[1-(1-naphthalenyl)-1h-tetrazol-5-yl]thio]-

Structural Information

Molecular Formula
C19H14ClN5O2S
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC(=O)NC4=C(C=C(C=C4)O)Cl
InChI
InChI=1S/C19H14ClN5O2S/c20-15-10-13(26)8-9-16(15)21-18(27)11-28-19-22-23-24-25(19)17-7-3-5-12-4-1-2-6-14(12)17/h1-10,26H,11H2,(H,21,27)
InChIKey
BWYHHOKMFKEDJA-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-hydroxyphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.05566 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.06294 190.6
[M+Na]+ 434.04488 201.9
[M-H]- 410.04838 196.2
[M+NH4]+ 429.08948 199.2
[M+K]+ 450.01882 193.3
[M+H-H2O]+ 394.05292 181.1
[M+HCOO]- 456.05386 201.0
[M+CH3COO]- 470.06951 199.9
[M+Na-2H]- 432.03033 193.5
[M]+ 411.05511 196.9
[M]- 411.05621 196.9
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.