CID 490048

2-[(3-acetyl-6-iodo-2-methyl-4-quinolyl)oxy]acetohydrazide

Structural Information

Molecular Formula
C14H14IN3O3
SMILES
CC1=C(C(=C2C=C(C=CC2=N1)I)OCC(=O)NN)C(=O)C
InChI
InChI=1S/C14H14IN3O3/c1-7-13(8(2)19)14(21-6-12(20)18-16)10-5-9(15)3-4-11(10)17-7/h3-5H,6,16H2,1-2H3,(H,18,20)
InChIKey
VYGGVBZMIWKXLF-UHFFFAOYSA-N
Compound name
2-(3-acetyl-6-iodo-2-methylquinolin-4-yl)oxyacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.008 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.01528 177.7
[M+Na]+ 421.99722 178.5
[M-H]- 398.00072 173.8
[M+NH4]+ 417.04182 187.6
[M+K]+ 437.97116 181.5
[M+H-H2O]+ 382.00526 166.2
[M+HCOO]- 444.00620 193.9
[M+CH3COO]- 458.02185 216.2
[M+Na-2H]- 419.98267 168.5
[M]+ 399.00745 176.5
[M]- 399.00855 176.5
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

No patent data available for this compound.