CID 5275193

2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanyl-n-(2-methyl-4-phenyl-phenyl)acetamide

Structural Information

Molecular Formula
C23H20ClN5OS
SMILES
CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4)C)Cl
InChI
InChI=1S/C23H20ClN5OS/c1-15-8-11-21(19(24)12-15)29-23(26-27-28-29)31-14-22(30)25-20-10-9-18(13-16(20)2)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,25,30)
InChIKey
SUXAGSCNQBETHW-UHFFFAOYSA-N
Compound name
2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-4-phenylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.1077 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.11498 206.1
[M+Na]+ 472.09692 216.0
[M-H]- 448.10042 214.5
[M+NH4]+ 467.14152 212.6
[M+K]+ 488.07086 206.6
[M+H-H2O]+ 432.10496 194.6
[M+HCOO]- 494.10590 216.3
[M+CH3COO]- 508.12155 214.4
[M+Na-2H]- 470.08237 204.4
[M]+ 449.10715 211.4
[M]- 449.10825 211.4
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.