CID 16077721

Acetamide, n-(3-chloro-4'-methoxy[1,1'-biphenyl]-4-yl)-2-[[1-(2-chloro-4-methylphenyl)-1h-tetrazol-5-yl]thio]-

Structural Information

Molecular Formula
C23H19Cl2N5O2S
SMILES
CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C4=CC=C(C=C4)OC)Cl)Cl
InChI
InChI=1S/C23H19Cl2N5O2S/c1-14-3-10-21(19(25)11-14)30-23(27-28-29-30)33-13-22(31)26-20-9-6-16(12-18(20)24)15-4-7-17(32-2)8-5-15/h3-12H,13H2,1-2H3,(H,26,31)
InChIKey
VOYYVWMNRZERIG-UHFFFAOYSA-N
Compound name
N-[2-chloro-4-(4-methoxyphenyl)phenyl]-2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.06366 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.07094 213.1
[M+Na]+ 522.05288 223.5
[M-H]- 498.05638 221.2
[M+NH4]+ 517.09748 218.3
[M+K]+ 538.02682 214.7
[M+H-H2O]+ 482.06092 201.9
[M+HCOO]- 544.06186 218.4
[M+CH3COO]- 558.07751 220.8
[M+Na-2H]- 520.03833 210.5
[M]+ 499.06311 221.4
[M]- 499.06421 221.4
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.