CID 214729

3,4-dichloro-n-(2-(1h-tetrazol-5-ylmethoxy)phenyl)benzamide

Structural Information

Molecular Formula
C15H11Cl2N5O2
SMILES
C1=CC=C(C(=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl)OCC3=NNN=N3
InChI
InChI=1S/C15H11Cl2N5O2/c16-10-6-5-9(7-11(10)17)15(23)18-12-3-1-2-4-13(12)24-8-14-19-21-22-20-14/h1-7H,8H2,(H,18,23)(H,19,20,21,22)
InChIKey
PPNRTYGAMYVQQZ-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-[2-(2H-tetrazol-5-ylmethoxy)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.029 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.03628 178.7
[M+Na]+ 386.01822 193.7
[M+NH4]+ 381.06282 184.6
[M+K]+ 401.99216 188.1
[M-H]- 362.02172 181.6
[M+Na-2H]- 384.00367 187.4
[M]+ 363.02845 182.0
[M]- 363.02955 182.0
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.