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]+ 311.13902 172.4
[M+Na]+ 333.12096 182.2
[M-H]- 309.12446 177.4
[M+NH4]+ 328.16556 186.9
[M+K]+ 349.09490 177.8
[M+H-H2O]+ 293.12900 164.1
[M+HCOO]- 355.12994 192.0
[M+CH3COO]- 369.14559 205.2
[M+Na-2H]- 331.10641 174.1
[M]+ 310.13119 176.9
[M]- 310.13229 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