CID 490049

2h-pyrano[3,2-c]quinoline-3-carbonitrile, 9-iodo-4,5-dimethyl-2-oxo-

Structural Information

Molecular Formula
C15H9IN2O2
SMILES
CC1=C(C(=O)OC2=C3C=C(C=CC3=NC(=C12)C)I)C#N
InChI
InChI=1S/C15H9IN2O2/c1-7-11(6-17)15(19)20-14-10-5-9(16)3-4-12(10)18-8(2)13(7)14/h3-5H,1-2H3
InChIKey
RLIBSPZLNQORGS-UHFFFAOYSA-N
Compound name
9-iodo-4,5-dimethyl-2-oxopyrano[3,2-c]quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.9709 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.97818 164.6
[M+Na]+ 398.96012 173.5
[M-H]- 374.96362 162.7
[M+NH4]+ 394.00472 175.2
[M+K]+ 414.93406 172.5
[M+H-H2O]+ 358.96816 147.8
[M+HCOO]- 420.96910 177.9
[M+CH3COO]- 434.98475 172.7
[M+Na-2H]- 396.94557 161.1
[M]+ 375.97035 162.5
[M]- 375.97145 162.5
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.