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

23745
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

literature stripe

Patent stripe

patents stripe