CID 5275212

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

Structural Information

Molecular Formula
C16H13BrClN5OS
SMILES
CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3Cl)Br
InChI
InChI=1S/C16H13BrClN5OS/c1-10-6-7-14(11(17)8-10)23-16(20-21-22-23)25-9-15(24)19-13-5-3-2-4-12(13)18/h2-8H,9H2,1H3,(H,19,24)
InChIKey
WWSSJWNZOKZONX-UHFFFAOYSA-N
Compound name
2-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.97128 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.97856 176.7
[M+Na]+ 459.96050 190.7
[M-H]- 435.96400 185.2
[M+NH4]+ 455.00510 188.7
[M+K]+ 475.93444 175.7
[M+H-H2O]+ 419.96854 174.5
[M+HCOO]- 481.96948 186.9
[M+CH3COO]- 495.98513 189.1
[M+Na-2H]- 457.94595 179.5
[M]+ 436.97073 200.4
[M]- 436.97183 200.4
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.