CID 1116753

Schembl6274384

Structural Information

Molecular Formula
C19H14FN5OS
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCC(=O)NC4=CC=CC=C4F
InChI
InChI=1S/C19H14FN5OS/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
HYPREAQYJQNAKY-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

379.0903 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.09758 184.7
[M+Na]+ 402.07952 195.5
[M-H]- 378.08302 190.0
[M+NH4]+ 397.12412 194.2
[M+K]+ 418.05346 187.3
[M+H-H2O]+ 362.08756 173.4
[M+HCOO]- 424.08850 200.0
[M+CH3COO]- 438.10415 194.4
[M+Na-2H]- 400.06497 188.2
[M]+ 379.08975 187.9
[M]- 379.09085 187.9
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

patents stripe