CID 9861496

258273-49-3

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)C(C(=O)OC)O
InChI
InChI=1S/C18H18N2O3/c1-11-4-7-13(8-5-11)15-16(17(21)18(22)23-3)20-10-12(2)6-9-14(20)19-15/h4-10,17,21H,1-3H3
InChIKey
ANEHMCXAEGAQSC-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

310.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.139016 172.4
[M+Na]+ 333.120958 182.2
[M-H]- 309.124464 177.4
[M+NH4]+ 328.165563 186.9
[M+K]+ 349.094898 177.8
[M+H-H2O]+ 293.129000 164.1
[M+HCOO]- 355.129941 192.0
[M+CH3COO]- 369.145591 205.2
[M+Na-2H]- 331.106406 174.1
[M]+ 310.13119142 176.9
[M]- 310.13228858 176.9
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