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]+ 435.02001 183.4
[M+Na]+ 457.00195 185.1
[M-H]- 433.00545 181.5
[M+NH4]+ 452.04655 191.6
[M+K]+ 472.97589 185.8
[M+H-H2O]+ 417.00999 170.8
[M+HCOO]- 479.01093 198.6
[M+CH3COO]- 493.02658 217.5
[M+Na-2H]- 454.98740 175.6
[M]+ 434.01218 181.8
[M]- 434.01328 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