CID 215307

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

Structural Information

Molecular Formula
C16H14ClN5O3
SMILES
COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)Cl)OCC3=NNN=N3
InChI
InChI=1S/C16H14ClN5O3/c1-24-12-6-7-13(14(8-12)25-9-15-19-21-22-20-15)18-16(23)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKey
GJIBJDMYYDUFNL-UHFFFAOYSA-N
Compound name
4-chloro-N-[4-methoxy-2-(2H-tetrazol-5-ylmethoxy)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.07852 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.08580 178.6
[M+Na]+ 382.06774 187.0
[M-H]- 358.07124 182.4
[M+NH4]+ 377.11234 187.0
[M+K]+ 398.04168 180.9
[M+H-H2O]+ 342.07578 167.4
[M+HCOO]- 404.07672 193.6
[M+CH3COO]- 418.09237 188.0
[M+Na-2H]- 380.05319 182.0
[M]+ 359.07797 182.0
[M]- 359.07907 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.