CID 54676478

Roquinimex

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O
InChI
InChI=1S/C18H16N2O3/c1-19(12-8-4-3-5-9-12)17(22)15-16(21)13-10-6-7-11-14(13)20(2)18(15)23/h3-11,21H,1-2H3
InChIKey
SGOOQMRIPALTEL-UHFFFAOYSA-N
Compound name
4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

206
References

23801
Patents

308.1161 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 170.0
[M+Na]+ 331.10532 178.6
[M-H]- 307.10882 177.0
[M+NH4]+ 326.14992 184.1
[M+K]+ 347.07926 174.8
[M+H-H2O]+ 291.11336 161.0
[M+HCOO]- 353.11430 191.3
[M+CH3COO]- 367.12995 209.9
[M+Na-2H]- 329.09077 174.4
[M]+ 308.11555 172.1
[M]- 308.11665 172.1
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

No patent data available for this compound.