CID 11545556

Schembl6277778

Structural Information

Molecular Formula
C17H17ClN6OS
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=C(N=CC=C3)Cl)C
InChI
InChI=1S/C17H17ClN6OS/c1-10-7-11(2)15(12(3)8-10)24-17(21-22-23-24)26-9-14(25)20-13-5-4-6-19-16(13)18/h4-8H,9H2,1-3H3,(H,20,25)
InChIKey
RDUGXYDCGNBIEQ-UHFFFAOYSA-N
Compound name
N-(2-chloropyridin-3-yl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

388.0873 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.09458 189.5
[M+Na]+ 411.07652 200.8
[M-H]- 387.08002 194.2
[M+NH4]+ 406.12112 197.8
[M+K]+ 427.05046 192.8
[M+H-H2O]+ 371.08456 179.2
[M+HCOO]- 433.08550 199.1
[M+CH3COO]- 447.10115 198.8
[M+Na-2H]- 409.06197 188.2
[M]+ 388.08675 195.6
[M]- 388.08785 195.6
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

patents stripe