CID 212270

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

Structural Information

Molecular Formula
C16H13Cl2N5O2
SMILES
CC1=CC(=C(C=C1)OCC2=NNN=N2)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H13Cl2N5O2/c1-9-2-5-14(25-8-15-20-22-23-21-15)11(6-9)16(24)19-10-3-4-12(17)13(18)7-10/h2-7H,8H2,1H3,(H,19,24)(H,20,21,22,23)
InChIKey
PZAJDGNMPSPZHY-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-5-methyl-2-(2H-tetrazol-5-ylmethoxy)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 182.2
[M+Na]+ 400.03384 191.9
[M-H]- 376.03734 185.4
[M+NH4]+ 395.07844 190.7
[M+K]+ 416.00778 184.2
[M+H-H2O]+ 360.04188 171.4
[M+HCOO]- 422.04282 191.7
[M+CH3COO]- 436.05847 191.2
[M+Na-2H]- 398.01929 183.8
[M]+ 377.04407 185.7
[M]- 377.04517 185.7
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.