CID 71300247

3-iodo-5-methyl-1,2-dihydro-1,6-naphthyridin-2-one

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 137.5
[M+Na]+ 308.94952 141.5
[M-H]- 284.95302 131.8
[M+NH4]+ 303.99412 151.0
[M+K]+ 324.92346 143.2
[M+H-H2O]+ 268.95756 127.2
[M+HCOO]- 330.95850 153.1
[M+CH3COO]- 344.97415 187.7
[M+Na-2H]- 306.93497 134.4
[M]+ 285.95975 134.8
[M]- 285.96085 134.8
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

No patent data available for this compound.