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]+ 326.08214 169.7
[M+Na]+ 348.06408 178.5
[M-H]- 324.06758 172.3
[M+NH4]+ 343.10868 184.3
[M+K]+ 364.03802 174.0
[M+H-H2O]+ 308.07212 162.8
[M+HCOO]- 370.07306 178.9
[M+CH3COO]- 384.08871 214.8
[M+Na-2H]- 346.04953 171.2
[M]+ 325.07431 175.5
[M]- 325.07541 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.