CID 2810262

Acetamide, n-(2-chlorophenyl)-2-[[1-[4-(dimethylamino)phenyl]-1h-tetrazol-5-yl]thio]-

Structural Information

Molecular Formula
C17H17ClN6OS
SMILES
CN(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C17H17ClN6OS/c1-23(2)12-7-9-13(10-8-12)24-17(20-21-22-24)26-11-16(25)19-15-6-4-3-5-14(15)18/h3-10H,11H2,1-2H3,(H,19,25)
InChIKey
IHAHSEJRLRUHOC-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)phenyl]tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.0873 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.09458 187.4
[M+Na]+ 411.07652 196.2
[M-H]- 387.08002 194.2
[M+NH4]+ 406.12112 196.8
[M+K]+ 427.05046 189.8
[M+H-H2O]+ 371.08456 176.8
[M+HCOO]- 433.08550 200.0
[M+CH3COO]- 447.10115 197.0
[M+Na-2H]- 409.06197 188.2
[M]+ 388.08675 193.2
[M]- 388.08785 193.2
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.