CID 3079848

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

Structural Information

Molecular Formula
C16H21ClN4O
SMILES
CCN(CC)C(=O)C1=C(N=C2C(=C1Cl)C=CC=N2)NC(C)C
InChI
InChI=1S/C16H21ClN4O/c1-5-21(6-2)16(22)12-13(17)11-8-7-9-18-14(11)20-15(12)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKey
JZUPAALNUXEICX-UHFFFAOYSA-N
Compound name
4-chloro-N,N-diethyl-2-(propan-2-ylamino)-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.14038 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14766 175.9
[M+Na]+ 343.12960 183.4
[M-H]- 319.13310 178.9
[M+NH4]+ 338.17420 189.9
[M+K]+ 359.10354 179.3
[M+H-H2O]+ 303.13764 167.6
[M+HCOO]- 365.13858 191.8
[M+CH3COO]- 379.15423 217.8
[M+Na-2H]- 341.11505 178.9
[M]+ 320.13983 180.7
[M]- 320.14093 180.7
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.