CID 54684083

300716-33-0

Structural Information

Molecular Formula
C18H15IN2O3
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=C(C=C3)I)O
InChI
InChI=1S/C18H15IN2O3/c1-2-21-14-6-4-3-5-13(14)16(22)15(18(21)24)17(23)20-12-9-7-11(19)8-10-12/h3-10,22H,2H2,1H3,(H,20,23)
InChIKey
ZPWGTUXEOPRRHC-UHFFFAOYSA-N
Compound name
1-ethyl-4-hydroxy-N-(4-iodophenyl)-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

434.01273 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.020006 183.4
[M+Na]+ 457.001948 185.1
[M-H]- 433.005454 181.5
[M+NH4]+ 452.046553 191.6
[M+K]+ 472.975888 185.8
[M+H-H2O]+ 417.009990 170.8
[M+HCOO]- 479.010931 198.6
[M+CH3COO]- 493.026581 217.5
[M+Na-2H]- 454.987396 175.6
[M]+ 434.01218142 181.8
[M]- 434.01327858 181.8
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