CID 7531820

Akos017109815

Structural Information

Molecular Formula
C17H16ClN5OS
SMILES
CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C17H16ClN5OS/c1-11-6-5-7-12(2)16(11)23-17(20-21-22-23)25-10-15(24)19-14-9-4-3-8-13(14)18/h3-9H,10H2,1-2H3,(H,19,24)
InChIKey
HBYOAJQVNUBVIB-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.07642 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.08370 185.1
[M+Na]+ 396.06564 195.6
[M-H]- 372.06914 190.7
[M+NH4]+ 391.11024 195.1
[M+K]+ 412.03958 187.9
[M+H-H2O]+ 356.07368 175.2
[M+HCOO]- 418.07462 196.1
[M+CH3COO]- 432.09027 194.9
[M+Na-2H]- 394.05109 184.6
[M]+ 373.07587 190.5
[M]- 373.07697 190.5
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.