CID 6918643

410545-90-3

Structural Information

Molecular Formula
C21H20FN5O4
SMILES
CN(C)C(=O)C(=O)N(C)C1=NC(=C(C2=C1C=CC=N2)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C21H20FN5O4/c1-26(2)20(30)21(31)27(3)18-14-5-4-10-23-15(14)17(28)16(25-18)19(29)24-11-12-6-8-13(22)9-7-12/h4-10,28H,11H2,1-3H3,(H,24,29)
InChIKey
DKMXWAOCNKDQMT-UHFFFAOYSA-N
Compound name
N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N,N'-trimethyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

81
Patents

425.14993 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15721 199.1
[M+Na]+ 448.13915 204.3
[M-H]- 424.14265 204.4
[M+NH4]+ 443.18375 206.6
[M+K]+ 464.11309 202.4
[M+H-H2O]+ 408.14719 187.5
[M+HCOO]- 470.14813 217.9
[M+CH3COO]- 484.16378 239.3
[M+Na-2H]- 446.12460 200.4
[M]+ 425.14938 200.9
[M]- 425.15048 200.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe