CID 5275092

N-(2,3-difluorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C19H13F2N5OS
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC(=O)NC4=C(C(=CC=C4)F)F
InChI
InChI=1S/C19H13F2N5OS/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
FEEKEOREPQMTSG-UHFFFAOYSA-N
Compound name
N-(2,3-difluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.0809 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.08818 188.1
[M+Na]+ 420.07012 199.7
[M-H]- 396.07362 192.3
[M+NH4]+ 415.11472 197.0
[M+K]+ 436.04406 190.9
[M+H-H2O]+ 380.07816 176.0
[M+HCOO]- 442.07910 202.3
[M+CH3COO]- 456.09475 197.4
[M+Na-2H]- 418.05557 190.3
[M]+ 397.08035 190.8
[M]- 397.08145 190.8
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.