CID 11669633

2-[1-(4-bromo-2,6-dimethyl-phenyl)tetrazol-5-yl]sulfanyl-n-(2-chlorophenyl)acetamide

Structural Information

Molecular Formula
C17H15BrClN5OS
SMILES
CC1=CC(=CC(=C1N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3Cl)C)Br
InChI
InChI=1S/C17H15BrClN5OS/c1-10-7-12(18)8-11(2)16(10)24-17(21-22-23-24)26-9-15(25)20-14-6-4-3-5-13(14)19/h3-8H,9H2,1-2H3,(H,20,25)
InChIKey
OHTGYMOOTPWZDX-UHFFFAOYSA-N
Compound name
2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.9869 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.99418 181.6
[M+Na]+ 473.97612 195.9
[M-H]- 449.97962 190.2
[M+NH4]+ 469.02072 193.3
[M+K]+ 489.95006 180.6
[M+H-H2O]+ 433.98416 179.3
[M+HCOO]- 495.98510 191.3
[M+CH3COO]- 510.00075 193.8
[M+Na-2H]- 471.96157 183.1
[M]+ 450.98635 205.9
[M]- 450.98745 205.9
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.