CID 159466

111374-21-1

Structural Information

Molecular Formula

C₁₀H₁₂N₈O

SMILES

C1CCN(C1)C2=NC(=CN=C2)C(=O)NC3=NNN=N3

InChI

InChI=1S/C10H12N8O/c19-9(13-10-14-16-17-15-10)7-5-11-6-8(12-7)18-3-1-2-4-18/h5-6H,1-4H2,(H2,13,14,15,16,17,19)

InChIKey

LUJDHCXCWJFNOJ-UHFFFAOYSA-N

Compound name

6-pyrrolidin-1-yl-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 23
Patents: 260.1134 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	261.12068	156.1
[M+Na]+	283.10262	163.0
[M-H]-	259.10612	156.3
[M+NH4]+	278.14722	164.9
[M+K]+	299.07656	158.9
[M+H-H2O]+	243.11066	143.9
[M+HCOO]-	305.11160	171.3
[M+CH3COO]-	319.12725	165.0
[M+Na-2H]-	281.08807	158.9
[M]+	260.11285	151.7
[M]-	260.11395	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe