CID 215312

5-(1,1-dimethylethyl)-n-phenyl-2-(1h-tetrazol-5-ylmethoxy)benzamide

Structural Information

Molecular Formula
C19H21N5O2
SMILES
CC(C)(C)C1=CC(=C(C=C1)OCC2=NNN=N2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C19H21N5O2/c1-19(2,3)13-9-10-16(26-12-17-21-23-24-22-17)15(11-13)18(25)20-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,20,25)(H,21,22,23,24)
InChIKey
UROGBUSPGRAUKB-UHFFFAOYSA-N
Compound name
5-tert-butyl-N-phenyl-2-(2H-tetrazol-5-ylmethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.16953 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17681 183.6
[M+Na]+ 374.15875 195.7
[M+NH4]+ 369.20335 188.3
[M+K]+ 390.13269 192.3
[M-H]- 350.16225 185.9
[M+Na-2H]- 372.14420 191.9
[M]+ 351.16898 185.8
[M]- 351.17008 185.8
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.