CID 212278

5-bromo-n-phenyl-2-(1h-tetrazol-5-ylmethoxy)benzamide

Structural Information

Molecular Formula
C15H12BrN5O2
SMILES
C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)OCC3=NNN=N3
InChI
InChI=1S/C15H12BrN5O2/c16-10-6-7-13(23-9-14-18-20-21-19-14)12(8-10)15(22)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,22)(H,18,19,20,21)
InChIKey
LOUZFMUUTWRZLU-UHFFFAOYSA-N
Compound name
5-bromo-N-phenyl-2-(2H-tetrazol-5-ylmethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.01743 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.02471 171.5
[M+Na]+ 396.00665 181.5
[M-H]- 372.01015 177.7
[M+NH4]+ 391.05125 182.5
[M+K]+ 411.98059 168.7
[M+H-H2O]+ 356.01469 167.5
[M+HCOO]- 418.01563 189.3
[M+CH3COO]- 432.03128 182.9
[M+Na-2H]- 393.99210 177.7
[M]+ 373.01688 189.4
[M]- 373.01798 189.4
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.