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]+ 219.160426 149.9
[M+Na]+ 241.142368 158.7
[M-H]- 217.145874 151.9
[M+NH4]+ 236.186973 167.9
[M+K]+ 257.116308 156.1
[M+H-H2O]+ 201.150410 140.8
[M+HCOO]- 263.151351 173.2
[M+CH3COO]- 277.167001 195.1
[M+Na-2H]- 239.127816 157.1
[M]+ 218.15260142 154.4
[M]- 218.15369858 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.