CID 3016153

40034-74-0

Structural Information

Molecular Formula
C21H22N2O3
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC(=NC(=C3)C)C)C(=O)OCC
InChI
InChI=1S/C21H22N2O3/c1-5-23-12-18(21(25)26-6-2)20(24)17-8-7-15(11-19(17)23)16-9-13(3)22-14(4)10-16/h7-12H,5-6H2,1-4H3
InChIKey
COLYZJTVSVOCJZ-UHFFFAOYSA-N
Compound name
ethyl 7-(2,6-dimethyl-4-pyridinyl)-1-ethyl-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

350.16306 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.170336 185.2
[M+Na]+ 373.152278 195.5
[M-H]- 349.155784 190.9
[M+NH4]+ 368.196883 197.2
[M+K]+ 389.126218 190.2
[M+H-H2O]+ 333.160320 175.1
[M+HCOO]- 395.161261 203.9
[M+CH3COO]- 409.176911 218.0
[M+Na-2H]- 371.137726 187.1
[M]+ 350.16251142 190.8
[M]- 350.16360858 190.8
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