CID 212274

O-anisanilide, 3',4'-dichloro-5-ethyl-alpha-1h-tetrazol-5-yl-

Structural Information

Molecular Formula
C17H15Cl2N5O2
SMILES
CCC1=CC(=C(C=C1)OCC2=NNN=N2)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H15Cl2N5O2/c1-2-10-3-6-15(26-9-16-21-23-24-22-16)12(7-10)17(25)20-11-4-5-13(18)14(19)8-11/h3-8H,2,9H2,1H3,(H,20,25)(H,21,22,23,24)
InChIKey
XCSASPILYRQMRV-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-5-ethyl-2-(2H-tetrazol-5-ylmethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.06027 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.06755 186.4
[M+Na]+ 414.04949 195.7
[M-H]- 390.05299 189.5
[M+NH4]+ 409.09409 194.4
[M+K]+ 430.02343 187.8
[M+H-H2O]+ 374.05753 175.5
[M+HCOO]- 436.05847 195.6
[M+CH3COO]- 450.07412 195.0
[M+Na-2H]- 412.03494 187.5
[M]+ 391.05972 190.3
[M]- 391.06082 190.3
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.