CID 4423122

Schembl13327558

Structural Information

Molecular Formula
C19H23N5O2
SMILES
CCOC(=O)NC1=NC2=C(C(=C1)NCCCCC3=CC=CC=C3)NC=N2
InChI
InChI=1S/C19H23N5O2/c1-2-26-19(25)24-16-12-15(17-18(23-16)22-13-21-17)20-11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H3,20,21,22,23,24,25)
InChIKey
VHEDNBUSTOPMML-UHFFFAOYSA-N
Compound name
ethyl N-[7-(4-phenylbutylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

353.18518 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19246 182.2
[M+Na]+ 376.17440 188.3
[M-H]- 352.17790 184.7
[M+NH4]+ 371.21900 192.4
[M+K]+ 392.14834 182.3
[M+H-H2O]+ 336.18244 171.6
[M+HCOO]- 398.18338 203.1
[M+CH3COO]- 412.19903 215.0
[M+Na-2H]- 374.15985 187.7
[M]+ 353.18463 184.4
[M]- 353.18573 184.4
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

patents stripe