CID 54684617

Paquinimod

Structural Information

Molecular Formula
C21H22N2O3
SMILES
CCC1=C2C(=CC=C1)N(C(=O)C(=C2O)C(=O)N(CC)C3=CC=CC=C3)C
InChI
InChI=1S/C21H22N2O3/c1-4-14-10-9-13-16-17(14)19(24)18(20(25)22(16)3)21(26)23(5-2)15-11-7-6-8-12-15/h6-13,24H,4-5H2,1-3H3
InChIKey
DIKSYHCCYVYKRO-UHFFFAOYSA-N
Compound name
N,5-diethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

19
References

600
Patents

350.16306 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 183.9
[M+Na]+ 373.15228 192.1
[M-H]- 349.15578 190.7
[M+NH4]+ 368.19688 196.6
[M+K]+ 389.12622 187.7
[M+H-H2O]+ 333.16032 174.5
[M+HCOO]- 395.16126 204.1
[M+CH3COO]- 409.17691 220.1
[M+Na-2H]- 371.13773 186.0
[M]+ 350.16251 187.4
[M]- 350.16361 187.4
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