CID 215304

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

Structural Information

Molecular Formula
C15H10Cl3N5O2
SMILES
C1=CC(=C(C=C1C(=O)NC2=C(C=CC(=C2)Cl)OCC3=NNN=N3)Cl)Cl
InChI
InChI=1S/C15H10Cl3N5O2/c16-9-2-4-13(25-7-14-20-22-23-21-14)12(6-9)19-15(24)8-1-3-10(17)11(18)5-8/h1-6H,7H2,(H,19,24)(H,20,21,22,23)
InChIKey
NKSZLYARHGKQJX-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-[5-chloro-2-(2H-tetrazol-5-ylmethoxy)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.99002 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.99730 184.9
[M+Na]+ 419.97924 200.3
[M+NH4]+ 415.02384 190.7
[M+K]+ 435.95318 194.2
[M-H]- 395.98274 187.5
[M+Na-2H]- 417.96469 192.9
[M]+ 396.98947 188.5
[M]- 396.99057 188.5
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.