CID 76056

2813-84-5

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]+ 323.18663 178.5
[M+Na]+ 345.16857 186.2
[M-H]- 321.17207 183.6
[M+NH4]+ 340.21317 191.6
[M+K]+ 361.14251 181.5
[M+H-H2O]+ 305.17661 167.7
[M+HCOO]- 367.17755 200.0
[M+CH3COO]- 381.19320 214.1
[M+Na-2H]- 343.15402 182.4
[M]+ 322.17880 183.0
[M]- 322.17990 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.