CID 490043

4h-pyrano[3,2-c]quinoline-3-carboxaldehyde, 9-iodo-5-methyl-4-oxo-

Structural Information

Molecular Formula
C14H8INO3
SMILES
CC1=C2C(=C3C=C(C=CC3=N1)I)OC=C(C2=O)C=O
InChI
InChI=1S/C14H8INO3/c1-7-12-13(18)8(5-17)6-19-14(12)10-4-9(15)2-3-11(10)16-7/h2-6H,1H3
InChIKey
DIZBDUFHPCYVLO-UHFFFAOYSA-N
Compound name
9-iodo-5-methyl-4-oxopyrano[3,2-c]quinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.9549 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.96218 156.1
[M+Na]+ 387.94412 162.4
[M-H]- 363.94762 155.0
[M+NH4]+ 382.98872 168.3
[M+K]+ 403.91806 164.8
[M+H-H2O]+ 347.95216 144.8
[M+HCOO]- 409.95310 173.2
[M+CH3COO]- 423.96875 166.0
[M+Na-2H]- 385.92957 154.0
[M]+ 364.95435 159.5
[M]- 364.95545 159.5
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.