CID 747770

N-(4-ethoxyphenyl)-4-(1h-1,2,3,4-tetrazol-1-yl)benzamide

Structural Information

Molecular Formula
C16H15N5O2
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C=NN=N3
InChI
InChI=1S/C16H15N5O2/c1-2-23-15-9-5-13(6-10-15)18-16(22)12-3-7-14(8-4-12)21-11-17-19-20-21/h3-11H,2H2,1H3,(H,18,22)
InChIKey
HYHBTUQUIVVEHT-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-4-(tetrazol-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.1226 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.129876 170.2
[M+Na]+ 332.111818 177.9
[M-H]- 308.115324 175.2
[M+NH4]+ 327.156423 180.3
[M+K]+ 348.085758 173.0
[M+H-H2O]+ 292.119860 158.5
[M+HCOO]- 354.120801 191.2
[M+CH3COO]- 368.136451 180.5
[M+Na-2H]- 330.097266 175.1
[M]+ 309.12205142 171.6
[M]- 309.12314858 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.