CID 5275094

Acetamide, n-(2-fluoro-3-chlorophenyl)-2-[[1-(1-naphthalenyl)-1h-tetrazol-5-yl]thio]-

Structural Information

Molecular Formula
C19H13ClFN5OS
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC(=O)NC4=C(C(=CC=C4)Cl)F
InChI
InChI=1S/C19H13ClFN5OS/c20-14-8-4-9-15(18(14)21)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
XLCICKIXWKNKPX-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.05133 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.05861 190.7
[M+Na]+ 436.04055 202.8
[M-H]- 412.04405 196.1
[M+NH4]+ 431.08515 199.9
[M+K]+ 452.01449 193.6
[M+H-H2O]+ 396.04859 179.7
[M+HCOO]- 458.04953 201.3
[M+CH3COO]- 472.06518 200.2
[M+Na-2H]- 434.02600 193.0
[M]+ 413.05078 196.5
[M]- 413.05188 196.5
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.