CID 13691338

109461-15-6

Structural Information

Molecular Formula
C19H19N3O3
SMILES
CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C(=O)O)CC(=O)N(C)C
InChI
InChI=1S/C19H19N3O3/c1-12-4-6-13(7-5-12)18-15(10-17(23)21(2)3)22-11-14(19(24)25)8-9-16(22)20-18/h4-9,11H,10H2,1-3H3,(H,24,25)
InChIKey
RFUGIBAONXDHRM-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)-2-oxoethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

337.14264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 179.3
[M+Na]+ 360.13186 188.0
[M-H]- 336.13536 185.5
[M+NH4]+ 355.17646 192.8
[M+K]+ 376.10580 184.2
[M+H-H2O]+ 320.13990 170.4
[M+HCOO]- 382.14084 200.3
[M+CH3COO]- 396.15649 215.8
[M+Na-2H]- 358.11731 180.5
[M]+ 337.14209 184.0
[M]- 337.14319 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe