CID 76162

2891-99-8

Structural Information

Molecular Formula
C12H18N4
SMILES
CCN(CC)CCN1C=NC2=C1N=CC=C2
InChI
InChI=1S/C12H18N4/c1-3-15(4-2)8-9-16-10-14-11-6-5-7-13-12(11)16/h5-7,10H,3-4,8-9H2,1-2H3
InChIKey
OCUFTCLNNKFCMQ-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-imidazo[4,5-b]pyridin-3-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.15315 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.16043 149.9
[M+Na]+ 241.14237 158.7
[M-H]- 217.14587 151.9
[M+NH4]+ 236.18697 167.9
[M+K]+ 257.11631 156.1
[M+H-H2O]+ 201.15041 140.8
[M+HCOO]- 263.15135 173.2
[M+CH3COO]- 277.16700 195.1
[M+Na-2H]- 239.12782 157.1
[M]+ 218.15260 154.4
[M]- 218.15370 154.4
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.