CID 747770

332352-04-2

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]+ 310.12988 170.2
[M+Na]+ 332.11182 177.9
[M-H]- 308.11532 175.2
[M+NH4]+ 327.15642 180.3
[M+K]+ 348.08576 173.0
[M+H-H2O]+ 292.11986 158.5
[M+HCOO]- 354.12080 191.2
[M+CH3COO]- 368.13645 180.5
[M+Na-2H]- 330.09727 175.1
[M]+ 309.12205 171.6
[M]- 309.12315 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.