CID 76056

Brn 0897598

Structural Information

Molecular Formula
C19H22N4O
SMILES
CCN(CC)C(=O)C1=CC2=C(N=C1)N(C=N2)CCC3=CC=CC=C3
InChI
InChI=1S/C19H22N4O/c1-3-22(4-2)19(24)16-12-17-18(20-13-16)23(14-21-17)11-10-15-8-6-5-7-9-15/h5-9,12-14H,3-4,10-11H2,1-2H3
InChIKey
LAUIEAAYPPOILS-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.17935 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.186626 178.5
[M+Na]+ 345.168568 186.2
[M-H]- 321.172074 183.6
[M+NH4]+ 340.213173 191.6
[M+K]+ 361.142508 181.5
[M+H-H2O]+ 305.176610 167.7
[M+HCOO]- 367.177551 200.0
[M+CH3COO]- 381.193201 214.1
[M+Na-2H]- 343.154016 182.4
[M]+ 322.17880142 183.0
[M]- 322.17989858 183.0
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.