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]+ 254.10364 155.6
[M+Na]+ 276.08558 165.9
[M-H]- 252.08908 158.5
[M+NH4]+ 271.13018 169.3
[M+K]+ 292.05952 160.6
[M+H-H2O]+ 236.09362 145.5
[M+HCOO]- 298.09456 176.7
[M+CH3COO]- 312.11021 167.3
[M+Na-2H]- 274.07103 162.5
[M]+ 253.09581 156.6
[M]- 253.09691 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.