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 184.9
[M+Na]+ 374.15875 191.2
[M-H]- 350.16225 188.6
[M+NH4]+ 369.20335 192.8
[M+K]+ 390.13269 185.6
[M+H-H2O]+ 334.16679 173.8
[M+HCOO]- 396.16773 201.8
[M+CH3COO]- 410.18338 211.7
[M+Na-2H]- 372.14420 188.8
[M]+ 351.16898 184.9
[M]- 351.17008 184.9
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.