CID 11531888

N-(2-chlorophenyl)-2-[1-(2-phenylphenyl)tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C21H16ClN5OS
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2N3C(=NN=N3)SCC(=O)NC4=CC=CC=C4Cl
InChI
InChI=1S/C21H16ClN5OS/c22-17-11-5-6-12-18(17)23-20(28)14-29-21-24-25-26-27(21)19-13-7-4-10-16(19)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,28)
InChIKey
ZUMORVSKRRGCJQ-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[1-(2-phenylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.07642 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.08370 195.5
[M+Na]+ 444.06564 204.7
[M-H]- 420.06914 203.6
[M+NH4]+ 439.11024 202.6
[M+K]+ 460.03958 195.8
[M+H-H2O]+ 404.07368 184.1
[M+HCOO]- 466.07462 206.6
[M+CH3COO]- 480.09027 204.2
[M+Na-2H]- 442.05109 196.5
[M]+ 421.07587 199.4
[M]- 421.07697 199.4
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.