CID 3054061

N-1-naphthalenyl-1h-tetrazole-5-acetamide

Structural Information

Molecular Formula
C13H11N5O
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)CC(=O)N
InChI
InChI=1S/C13H11N5O/c14-12(19)8-13-15-16-17-18(13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,14,19)
InChIKey
ZYXJPOFTSPDONY-UHFFFAOYSA-N
Compound name
2-(1-naphthalen-1-yltetrazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.09636 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.103636 155.6
[M+Na]+ 276.085578 165.9
[M-H]- 252.089084 158.5
[M+NH4]+ 271.130183 169.3
[M+K]+ 292.059518 160.6
[M+H-H2O]+ 236.093620 145.5
[M+HCOO]- 298.094561 176.7
[M+CH3COO]- 312.110211 167.3
[M+Na-2H]- 274.071026 162.5
[M]+ 253.09581142 156.6
[M]- 253.09690858 156.6
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.