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 158.0
[M+Na]+ 286.12742 165.7
[M-H]- 262.13092 160.5
[M+NH4]+ 281.17202 173.2
[M+K]+ 302.10136 159.5
[M+H-H2O]+ 246.13546 153.4
[M+HCOO]- 308.13640 182.2
[M+CH3COO]- 322.15205 197.6
[M+Na-2H]- 284.11287 166.5
[M]+ 263.13765 161.1
[M]- 263.13875 161.1
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.