CID 5275103

N-(2,6-dichlorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C19H13Cl2N5OS
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC(=O)NC4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C19H13Cl2N5OS/c20-14-8-4-9-15(21)18(14)22-17(27)11-28-19-23-24-25-26(19)16-10-3-6-12-5-1-2-7-13(12)16/h1-10H,11H2,(H,22,27)
InChIKey
UEBHTEAWFADHCC-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.0218 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.02908 193.1
[M+Na]+ 452.01102 205.1
[M-H]- 428.01452 199.0
[M+NH4]+ 447.05562 202.2
[M+K]+ 467.98496 196.2
[M+H-H2O]+ 412.01906 183.2
[M+HCOO]- 474.02000 199.5
[M+CH3COO]- 488.03565 202.3
[M+Na-2H]- 449.99647 195.2
[M]+ 429.02125 200.7
[M]- 429.02235 200.7
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.