CID 14686953

130056-88-1

Structural Information

Molecular Formula
C9H8ClN3O
SMILES
C1=CC(=NC2=C1C(=CC(=O)N2)CCl)N
InChI
InChI=1S/C9H8ClN3O/c10-4-5-3-8(14)13-9-6(5)1-2-7(11)12-9/h1-3H,4H2,(H3,11,12,13,14)
InChIKey
UHVCCXMNBLZSGH-UHFFFAOYSA-N
Compound name
7-amino-4-(chloromethyl)-1H-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

209.03558 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04286 140.9
[M+Na]+ 232.02480 152.4
[M-H]- 208.02830 141.6
[M+NH4]+ 227.06940 158.4
[M+K]+ 247.99874 146.2
[M+H-H2O]+ 192.03284 134.6
[M+HCOO]- 254.03378 157.4
[M+CH3COO]- 268.04943 153.6
[M+Na-2H]- 230.01025 148.7
[M]+ 209.03503 141.0
[M]- 209.03613 141.0
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

patents stripe