CID 56773872

6-chloro-2-(methylamino)-1,8-naphthyridine-3-carbonitrile

Structural Information

Molecular Formula
C10H7ClN4
SMILES
CNC1=NC2=NC=C(C=C2C=C1C#N)Cl
InChI
InChI=1S/C10H7ClN4/c1-13-9-7(4-12)2-6-3-8(11)5-14-10(6)15-9/h2-3,5H,1H3,(H,13,14,15)
InChIKey
AZMZNNLTDUUOIQ-UHFFFAOYSA-N
Compound name
6-chloro-2-(methylamino)-1,8-naphthyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.03592 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.043196 145.6
[M+Na]+ 241.025138 158.2
[M-H]- 217.028644 146.7
[M+NH4]+ 236.069743 161.4
[M+K]+ 256.999078 151.8
[M+H-H2O]+ 201.033180 132.0
[M+HCOO]- 263.034121 160.0
[M+CH3COO]- 277.049771 156.8
[M+Na-2H]- 239.010586 153.2
[M]+ 218.03537142 142.4
[M]- 218.03646858 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.