CID 56773868

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

Structural Information

Molecular Formula
C11H9ClN4
SMILES
CN(C)C1=NC2=NC=C(C=C2C=C1C#N)Cl
InChI
InChI=1S/C11H9ClN4/c1-16(2)11-8(5-13)3-7-4-9(12)6-14-10(7)15-11/h3-4,6H,1-2H3
InChIKey
SBYNOEBESMJGLL-UHFFFAOYSA-N
Compound name
6-chloro-2-(dimethylamino)-1,8-naphthyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.05157 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05885 149.3
[M+Na]+ 255.04079 161.5
[M-H]- 231.04429 151.4
[M+NH4]+ 250.08539 165.1
[M+K]+ 271.01473 156.1
[M+H-H2O]+ 215.04883 135.2
[M+HCOO]- 277.04977 163.8
[M+CH3COO]- 291.06542 160.6
[M+Na-2H]- 253.02624 155.8
[M]+ 232.05102 147.4
[M]- 232.05212 147.4
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.