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 180.4
[M+Na]+ 382.06774 194.2
[M+NH4]+ 377.11234 185.4
[M+K]+ 398.04168 189.8
[M-H]- 358.07124 183.0
[M+Na-2H]- 380.05319 188.6
[M]+ 359.07797 183.1
[M]- 359.07907 183.1
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.