CID 17750178

578007-69-9

Structural Information

Molecular Formula
C9H5IN4
SMILES
C1=C2C=C(C(=NC2=NC=C1I)N)C#N
InChI
InChI=1S/C9H5IN4/c10-7-2-5-1-6(3-11)8(12)14-9(5)13-4-7/h1-2,4H,(H2,12,13,14)
InChIKey
VNWMKVSGRFOLRU-UHFFFAOYSA-N
Compound name
2-amino-6-iodo-1,8-naphthyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.9559 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.96318 146.0
[M+Na]+ 318.94512 151.3
[M-H]- 294.94862 140.6
[M+NH4]+ 313.98972 157.4
[M+K]+ 334.91906 151.6
[M+H-H2O]+ 278.95316 129.2
[M+HCOO]- 340.95410 159.6
[M+CH3COO]- 354.96975 153.4
[M+Na-2H]- 316.93057 142.6
[M]+ 295.95535 137.9
[M]- 295.95645 137.9
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.