CID 215302

4-methyl-n-(2-(1h-tetrazol-5-ylmethoxy)phenyl)benzamide

Structural Information

Molecular Formula
C16H15N5O2
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OCC3=NNN=N3
InChI
InChI=1S/C16H15N5O2/c1-11-6-8-12(9-7-11)16(22)17-13-4-2-3-5-14(13)23-10-15-18-20-21-19-15/h2-9H,10H2,1H3,(H,17,22)(H,18,19,20,21)
InChIKey
HIUGNOCGNMHVEK-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-(2H-tetrazol-5-ylmethoxy)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1226 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12988 170.2
[M+Na]+ 332.11182 177.4
[M-H]- 308.11532 173.9
[M+NH4]+ 327.15642 179.6
[M+K]+ 348.08576 171.8
[M+H-H2O]+ 292.11986 158.9
[M+HCOO]- 354.12080 189.7
[M+CH3COO]- 368.13645 179.9
[M+Na-2H]- 330.09727 174.7
[M]+ 309.12205 169.8
[M]- 309.12315 169.8
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.