CID 13267859

88965-06-4

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CCC(=O)O
InChI
InChI=1S/C18H18N2O2/c1-12-3-6-14(7-4-12)18-15(8-10-17(21)22)20-11-13(2)5-9-16(20)19-18/h3-7,9,11H,8,10H2,1-2H3,(H,21,22)
InChIKey
UOROXKCDZAHOMH-UHFFFAOYSA-N
Compound name
3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 169.5
[M+Na]+ 317.12606 184.7
[M+NH4]+ 312.17066 177.0
[M+K]+ 333.10000 179.0
[M-H]- 293.12956 172.5
[M+Na-2H]- 315.11151 176.7
[M]+ 294.13629 172.6
[M]- 294.13739 172.6
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.