CID 5275223

2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanyl-n-(2-chloro-3-pyridyl)acetamide

Structural Information

Molecular Formula
C15H12Cl2N6OS
SMILES
CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(N=CC=C3)Cl)Cl
InChI
InChI=1S/C15H12Cl2N6OS/c1-9-4-5-12(10(16)7-9)23-15(20-21-22-23)25-8-13(24)19-11-3-2-6-18-14(11)17/h2-7H,8H2,1H3,(H,19,24)
InChIKey
VUUFAEVUYMBEGK-UHFFFAOYSA-N
Compound name
2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloropyridin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.01703 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.02431 183.9
[M+Na]+ 417.00625 195.2
[M-H]- 393.00975 187.8
[M+NH4]+ 412.05085 192.1
[M+K]+ 432.98019 187.2
[M+H-H2O]+ 377.01429 173.7
[M+HCOO]- 439.01523 189.0
[M+CH3COO]- 453.03088 193.0
[M+Na-2H]- 414.99170 183.7
[M]+ 394.01648 189.8
[M]- 394.01758 189.8
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.