CID 3074382

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

Structural Information

Molecular Formula
C17H23ClN4O
SMILES
CCCCNC1=C(C(=C2C=CC=NC2=N1)Cl)C(=O)N(CC)CC
InChI
InChI=1S/C17H23ClN4O/c1-4-7-10-20-16-13(17(23)22(5-2)6-3)14(18)12-9-8-11-19-15(12)21-16/h8-9,11H,4-7,10H2,1-3H3,(H,19,20,21)
InChIKey
FRNCITLUHKAKRA-UHFFFAOYSA-N
Compound name
2-(butylamino)-4-chloro-N,N-diethyl-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.15604 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16332 180.8
[M+Na]+ 357.14526 188.0
[M-H]- 333.14876 183.4
[M+NH4]+ 352.18986 194.2
[M+K]+ 373.11920 183.2
[M+H-H2O]+ 317.15330 172.0
[M+HCOO]- 379.15424 197.2
[M+CH3COO]- 393.16989 219.8
[M+Na-2H]- 355.13071 184.3
[M]+ 334.15549 186.4
[M]- 334.15659 186.4
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.