CID 215308

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

Structural Information

Molecular Formula
C16H13Cl2N5O3
SMILES
COC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl)OCC3=NNN=N3
InChI
InChI=1S/C16H13Cl2N5O3/c1-25-10-3-5-13(14(7-10)26-8-15-20-22-23-21-15)19-16(24)9-2-4-11(17)12(18)6-9/h2-7H,8H2,1H3,(H,19,24)(H,20,21,22,23)
InChIKey
WLECXEORGSOIRJ-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-[4-methoxy-2-(2H-tetrazol-5-ylmethoxy)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.03955 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.04683 183.8
[M+Na]+ 416.02877 193.2
[M-H]- 392.03227 187.1
[M+NH4]+ 411.07337 191.5
[M+K]+ 432.00271 186.3
[M+H-H2O]+ 376.03681 172.9
[M+HCOO]- 438.03775 193.5
[M+CH3COO]- 452.05340 192.6
[M+Na-2H]- 414.01422 185.6
[M]+ 393.03900 188.6
[M]- 393.04010 188.6
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.