CID 3074379

N,n-dibutyl-2,4-dichloro-1,8-naphthyridine-3-carboxamide

Structural Information

Molecular Formula
C17H21Cl2N3O
SMILES
CCCCN(CCCC)C(=O)C1=C(N=C2C(=C1Cl)C=CC=N2)Cl
InChI
InChI=1S/C17H21Cl2N3O/c1-3-5-10-22(11-6-4-2)17(23)13-14(18)12-8-7-9-20-16(12)21-15(13)19/h7-9H,3-6,10-11H2,1-2H3
InChIKey
GLKAGNPSRJZYCV-UHFFFAOYSA-N
Compound name
N,N-dibutyl-2,4-dichloro-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.10617 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11345 181.1
[M+Na]+ 376.09539 189.6
[M-H]- 352.09889 183.0
[M+NH4]+ 371.13999 194.6
[M+K]+ 392.06933 183.5
[M+H-H2O]+ 336.10343 173.1
[M+HCOO]- 398.10437 191.4
[M+CH3COO]- 412.12002 218.8
[M+Na-2H]- 374.08084 183.5
[M]+ 353.10562 188.5
[M]- 353.10672 188.5
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.