CID 50981

Pimonidazole

Structural Information

Molecular Formula
C11H18N4O3
SMILES
C1CCN(CC1)CC(CN2C=CN=C2[N+](=O)[O-])O
InChI
InChI=1S/C11H18N4O3/c16-10(8-13-5-2-1-3-6-13)9-14-7-4-12-11(14)15(17)18/h4,7,10,16H,1-3,5-6,8-9H2
InChIKey
WVWOOAYQYLJEFD-UHFFFAOYSA-N
Compound name
1-(2-nitroimidazol-1-yl)-3-piperidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

654
References

4494
Patents

254.1379 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14518 156.8
[M+Na]+ 277.12712 160.0
[M-H]- 253.13062 157.5
[M+NH4]+ 272.17172 169.3
[M+K]+ 293.10106 153.8
[M+H-H2O]+ 237.13516 152.1
[M+HCOO]- 299.13610 173.6
[M+CH3COO]- 313.15175 184.9
[M+Na-2H]- 275.11257 160.7
[M]+ 254.13735 150.6
[M]- 254.13845 150.6
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.