CID 215303

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

Structural Information

Molecular Formula
C15H11Cl2N5O2
SMILES
C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)Cl)OCC3=NNN=N3)Cl
InChI
InChI=1S/C15H11Cl2N5O2/c16-10-3-1-9(2-4-10)15(23)18-12-7-11(17)5-6-13(12)24-8-14-19-21-22-20-14/h1-7H,8H2,(H,18,23)(H,19,20,21,22)
InChIKey
UIJCGBRONCMBNB-UHFFFAOYSA-N
Compound name
4-chloro-N-[5-chloro-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 176.8
[M+Na]+ 386.01822 186.1
[M-H]- 362.02172 179.8
[M+NH4]+ 381.06282 185.6
[M+K]+ 401.99216 178.6
[M+H-H2O]+ 346.02626 165.9
[M+HCOO]- 408.02720 186.6
[M+CH3COO]- 422.04285 185.9
[M+Na-2H]- 384.00367 179.7
[M]+ 363.02845 179.6
[M]- 363.02955 179.6
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.