CID 5275073

705969-01-3

Structural Information

Molecular Formula
C19H14ClN5OS
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC(=O)NC4=CC=CC=C4Cl
InChI
InChI=1S/C19H14ClN5OS/c20-15-9-3-4-10-16(15)21-18(26)12-27-19-22-23-24-25(19)17-11-5-7-13-6-1-2-8-14(13)17/h1-11H,12H2,(H,21,26)
InChIKey
SMDQHIAPRXGYRK-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

395.06076 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.06804 187.9
[M+Na]+ 418.04998 199.1
[M-H]- 394.05348 194.3
[M+NH4]+ 413.09458 197.6
[M+K]+ 434.02392 190.5
[M+H-H2O]+ 378.05802 177.7
[M+HCOO]- 440.05896 199.5
[M+CH3COO]- 454.07461 197.7
[M+Na-2H]- 416.03543 191.5
[M]+ 395.06021 194.0
[M]- 395.06131 194.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe