CID 11510119

2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-n-(2-chlorophenyl)acetamide

Structural Information

Molecular Formula
C15H11BrClN5OS
SMILES
C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3Br)Cl
InChI
InChI=1S/C15H11BrClN5OS/c16-10-5-1-4-8-13(10)22-15(19-20-21-22)24-9-14(23)18-12-7-3-2-6-11(12)17/h1-8H,9H2,(H,18,23)
InChIKey
DTCZTFZAHLVABI-UHFFFAOYSA-N
Compound name
2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.95563 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.96291 171.8
[M+Na]+ 445.94485 185.4
[M-H]- 421.94835 180.0
[M+NH4]+ 440.98945 184.1
[M+K]+ 461.91879 170.7
[M+H-H2O]+ 405.95289 169.6
[M+HCOO]- 467.95383 182.3
[M+CH3COO]- 481.96948 184.3
[M+Na-2H]- 443.93030 175.7
[M]+ 422.95508 194.8
[M]- 422.95618 194.8
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.