CID 71300247

1407532-87-9

Structural Information

Molecular Formula
C9H7IN2O
SMILES
CC1=NC=CC2=C1C=C(C(=O)N2)I
InChI
InChI=1S/C9H7IN2O/c1-5-6-4-7(10)9(13)12-8(6)2-3-11-5/h2-4H,1H3,(H,12,13)
InChIKey
ZDGRMUYBFGNPMI-UHFFFAOYSA-N
Compound name
3-iodo-5-methyl-1H-1,6-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.9603 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.96758 143.0
[M+Na]+ 308.94952 150.4
[M+NH4]+ 303.99412 147.1
[M+K]+ 324.92346 147.0
[M-H]- 284.95302 138.5
[M+Na-2H]- 306.93497 137.5
[M]+ 285.95975 141.7
[M]- 285.96085 141.7
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

No patent data available for this compound.