CID 3074388

4-chloro-n,n-dibutyl-2-((1-methylethyl)amino)-1,8-naphthyridine-3-carboxamide

Structural Information

Molecular Formula
C20H29ClN4O
SMILES
CCCCN(CCCC)C(=O)C1=C(N=C2C(=C1Cl)C=CC=N2)NC(C)C
InChI
InChI=1S/C20H29ClN4O/c1-5-7-12-25(13-8-6-2)20(26)16-17(21)15-10-9-11-22-18(15)24-19(16)23-14(3)4/h9-11,14H,5-8,12-13H2,1-4H3,(H,22,23,24)
InChIKey
RGYQLGUPMVQGKW-UHFFFAOYSA-N
Compound name
N,N-dibutyl-4-chloro-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.203 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21028 194.3
[M+Na]+ 399.19222 199.9
[M-H]- 375.19572 196.4
[M+NH4]+ 394.23682 205.9
[M+K]+ 415.16616 194.9
[M+H-H2O]+ 359.20026 185.1
[M+HCOO]- 421.20120 208.7
[M+CH3COO]- 435.21685 229.5
[M+Na-2H]- 397.17767 195.1
[M]+ 376.20245 200.4
[M]- 376.20355 200.4
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.