CID 5275139

2-chloro-n-[2-[1-(1-naphthyl)tetrazol-5-yl]sulfanylethyl]benzamide

Structural Information

Molecular Formula
C20H16ClN5OS
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCNC(=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C20H16ClN5OS/c21-17-10-4-3-9-16(17)19(27)22-12-13-28-20-23-24-25-26(20)18-11-5-7-14-6-1-2-8-15(14)18/h1-11H,12-13H2,(H,22,27)
InChIKey
ZFTBJEKYIVBCAW-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.07642 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.08370 192.0
[M+Na]+ 432.06564 202.7
[M-H]- 408.06914 198.2
[M+NH4]+ 427.11024 201.1
[M+K]+ 448.03958 193.9
[M+H-H2O]+ 392.07368 181.6
[M+HCOO]- 454.07462 203.3
[M+CH3COO]- 468.09027 201.3
[M+Na-2H]- 430.05109 195.1
[M]+ 409.07587 198.4
[M]- 409.07697 198.4
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.