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

4710
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

literature stripe

Patent stripe

patents stripe