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]+ 219.04320 145.6
[M+Na]+ 241.02514 158.2
[M-H]- 217.02864 146.7
[M+NH4]+ 236.06974 161.4
[M+K]+ 256.99908 151.8
[M+H-H2O]+ 201.03318 132.0
[M+HCOO]- 263.03412 160.0
[M+CH3COO]- 277.04977 156.8
[M+Na-2H]- 239.01059 153.2
[M]+ 218.03537 142.4
[M]- 218.03647 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.