CID 3058687

Brn 0445160

Structural Information

Molecular Formula
C19H17ClN2O3
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H17ClN2O3/c1-3-25-19(24)16-17(21-13-10-8-12(20)9-11-13)14-6-4-5-7-15(14)22(2)18(16)23/h4-11,21H,3H2,1-2H3
InChIKey
OHUGWYPFKAIOKS-UHFFFAOYSA-N
Compound name
ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.09277 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10005 181.3
[M+Na]+ 379.08199 191.5
[M-H]- 355.08549 188.1
[M+NH4]+ 374.12659 194.7
[M+K]+ 395.05593 185.4
[M+H-H2O]+ 339.09003 172.7
[M+HCOO]- 401.09097 198.6
[M+CH3COO]- 415.10662 216.8
[M+Na-2H]- 377.06744 185.1
[M]+ 356.09222 187.1
[M]- 356.09332 187.1
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.