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]+ 286.967576 137.5
[M+Na]+ 308.949518 141.5
[M-H]- 284.953024 131.8
[M+NH4]+ 303.994123 151.0
[M+K]+ 324.923458 143.2
[M+H-H2O]+ 268.957560 127.2
[M+HCOO]- 330.958501 153.1
[M+CH3COO]- 344.974151 187.7
[M+Na-2H]- 306.934966 134.4
[M]+ 285.95975142 134.8
[M]- 285.96084858 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.