CID 11625980

N-(2,6-dichloro-3-pyridyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C17H16Cl2N6OS
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=C(N=C(C=C3)Cl)Cl)C
InChI
InChI=1S/C17H16Cl2N6OS/c1-9-6-10(2)15(11(3)7-9)25-17(22-23-24-25)27-8-14(26)20-12-4-5-13(18)21-16(12)19/h4-7H,8H2,1-3H3,(H,20,26)
InChIKey
XXQNHCAAERSVFD-UHFFFAOYSA-N
Compound name
N-(2,6-dichloropyridin-3-yl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.04834 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.05562 194.2
[M+Na]+ 445.03756 206.2
[M-H]- 421.04106 198.5
[M+NH4]+ 440.08216 201.9
[M+K]+ 461.01150 197.8
[M+H-H2O]+ 405.04560 184.2
[M+HCOO]- 467.04654 198.6
[M+CH3COO]- 481.06219 203.0
[M+Na-2H]- 443.02301 191.5
[M]+ 422.04779 201.6
[M]- 422.04889 201.6
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.