CID 491054

Schembl791381

Structural Information

Molecular Formula
C17H17N3O3
SMILES
C1CCC(CC1)N2C3=C(N=C(C=C3)C(=O)O)N=C2C4=COC=C4
InChI
InChI=1S/C17H17N3O3/c21-17(22)13-6-7-14-15(18-13)19-16(11-8-9-23-10-11)20(14)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,21,22)
InChIKey
IDPPMGORSSDZJC-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)imidazo[4,5-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

311.12698 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 169.7
[M+Na]+ 334.11620 177.3
[M-H]- 310.11970 176.4
[M+NH4]+ 329.16080 182.2
[M+K]+ 350.09014 173.8
[M+H-H2O]+ 294.12424 160.6
[M+HCOO]- 356.12518 186.2
[M+CH3COO]- 370.14083 180.3
[M+Na-2H]- 332.10165 170.2
[M]+ 311.12643 169.2
[M]- 311.12753 169.2
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