CID 54692265

Schembl4481403

Structural Information

Molecular Formula
C19H18FN3O4
SMILES
C1CC1NC(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2)O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C19H18FN3O4/c20-11-3-1-10(2-4-11)9-23-8-7-13-14(19(23)27)16(24)18(26)22-15(13)17(25)21-12-5-6-12/h1-4,12,24H,5-9H2,(H,21,25)(H,22,26)
InChIKey
LHXCUNKTEUWUCU-UHFFFAOYSA-N
Compound name
N-cyclopropyl-6-[(4-fluorophenyl)methyl]-4-hydroxy-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

371.12814 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13542 186.2
[M+Na]+ 394.11736 195.5
[M-H]- 370.12086 190.8
[M+NH4]+ 389.16196 190.5
[M+K]+ 410.09130 187.3
[M+H-H2O]+ 354.12540 176.5
[M+HCOO]- 416.12634 200.7
[M+CH3COO]- 430.14199 218.3
[M+Na-2H]- 392.10281 186.8
[M]+ 371.12759 185.2
[M]- 371.12869 185.2
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

patents stripe