CID 76272

2945-67-7

Structural Information

Molecular Formula
C12H17N5O2
SMILES
CCN(CC)CCN1C=NC2=C1N=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H17N5O2/c1-3-15(4-2)5-6-16-9-14-11-7-10(17(18)19)8-13-12(11)16/h7-9H,3-6H2,1-2H3
InChIKey
GPUIRVPMNPKLHK-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(6-nitroimidazo[4,5-b]pyridin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1382 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14548 156.0
[M+Na]+ 286.12742 168.5
[M+NH4]+ 281.17202 162.6
[M+K]+ 302.10136 167.1
[M-H]- 262.13092 158.2
[M+Na-2H]- 284.11287 161.5
[M]+ 263.13765 158.1
[M]- 263.13875 158.1
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.