CID 16077722

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

Structural Information

Molecular Formula
C22H17Cl2N5O2S
SMILES
CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C4=CC=C(C=C4)O)Cl)Cl
InChI
InChI=1S/C22H17Cl2N5O2S/c1-13-2-9-20(18(24)10-13)29-22(26-27-28-29)32-12-21(31)25-19-8-5-15(11-17(19)23)14-3-6-16(30)7-4-14/h2-11,30H,12H2,1H3,(H,25,31)
InChIKey
MBUYHTSXOJHXTJ-UHFFFAOYSA-N
Compound name
N-[2-chloro-4-(4-hydroxyphenyl)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

485.048 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.05528 208.0
[M+Na]+ 508.03722 218.4
[M-H]- 484.04072 215.0
[M+NH4]+ 503.08182 213.1
[M+K]+ 524.01116 209.0
[M+H-H2O]+ 468.04526 197.6
[M+HCOO]- 530.04620 212.3
[M+CH3COO]- 544.06185 215.6
[M+Na-2H]- 506.02267 205.7
[M]+ 485.04745 214.3
[M]- 485.04855 214.3
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.