CID 72080

Panidazole

Structural Information

Molecular Formula
C11H12N4O2
SMILES
CC1=NC=C(N1CCC2=CC=NC=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H12N4O2/c1-9-13-8-11(15(16)17)14(9)7-4-10-2-5-12-6-3-10/h2-3,5-6,8H,4,7H2,1H3
InChIKey
ARYPMCPJIWUCIP-UHFFFAOYSA-N
Compound name
4-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

118
Patents

232.09602 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 150.0
[M+Na]+ 255.08524 158.0
[M-H]- 231.08874 153.4
[M+NH4]+ 250.12984 164.7
[M+K]+ 271.05918 150.8
[M+H-H2O]+ 215.09328 145.3
[M+HCOO]- 277.09422 173.2
[M+CH3COO]- 291.10987 184.9
[M+Na-2H]- 253.07069 157.4
[M]+ 232.09547 149.5
[M]- 232.09657 149.5
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.