CID 11625809

N-(2-chlorophenyl)-2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C15H10Cl3N5OS
SMILES
C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=C(C=CC=C3Cl)Cl)Cl
InChI
InChI=1S/C15H10Cl3N5OS/c16-9-4-1-2-7-12(9)19-13(24)8-25-15-20-21-22-23(15)14-10(17)5-3-6-11(14)18/h1-7H,8H2,(H,19,24)
InChIKey
HVNSZAAMOFVSST-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.96716 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.97444 185.1
[M+Na]+ 435.95638 195.9
[M-H]- 411.95988 188.9
[M+NH4]+ 431.00098 194.0
[M+K]+ 451.93032 188.2
[M+H-H2O]+ 395.96442 175.7
[M+HCOO]- 457.96536 186.1
[M+CH3COO]- 471.98101 193.7
[M+Na-2H]- 433.94183 183.9
[M]+ 412.96661 190.6
[M]- 412.96771 190.6
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.