CID 3079843

1,8-naphthyridine-3-carboxamide, n,n-bis(1-methylethyl)-2,4-dichloro-

Structural Information

Molecular Formula
C15H17Cl2N3O
SMILES
CC(C)N(C(C)C)C(=O)C1=C(N=C2C(=C1Cl)C=CC=N2)Cl
InChI
InChI=1S/C15H17Cl2N3O/c1-8(2)20(9(3)4)15(21)11-12(16)10-6-5-7-18-14(10)19-13(11)17/h5-9H,1-4H3
InChIKey
NNKKASWDTSZJMC-UHFFFAOYSA-N
Compound name
2,4-dichloro-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.07486 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.082136 169.7
[M+Na]+ 348.064078 178.5
[M-H]- 324.067584 172.3
[M+NH4]+ 343.108683 184.3
[M+K]+ 364.038018 174.0
[M+H-H2O]+ 308.072120 162.8
[M+HCOO]- 370.073061 178.9
[M+CH3COO]- 384.088711 214.8
[M+Na-2H]- 346.049526 171.2
[M]+ 325.07431142 175.5
[M]- 325.07540858 175.5
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.