CID 215306

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

Structural Information

Molecular Formula
C16H13Cl2N5O2
SMILES
CC1=CC(=C(C=C1)OCC2=NNN=N2)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H13Cl2N5O2/c1-9-2-5-14(25-8-15-20-22-23-21-15)13(6-9)19-16(24)10-3-4-11(17)12(18)7-10/h2-7H,8H2,1H3,(H,19,24)(H,20,21,22,23)
InChIKey
JGTWHBSHJRFZPV-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-[5-methyl-2-(2H-tetrazol-5-ylmethoxy)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.04462 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.05190 183.6
[M+Na]+ 400.03384 198.7
[M+NH4]+ 395.07844 189.3
[M+K]+ 416.00778 193.1
[M-H]- 376.03734 186.6
[M+Na-2H]- 398.01929 191.8
[M]+ 377.04407 187.0
[M]- 377.04517 187.0
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.