CID 3013403

Schembl4763351

Structural Information

Molecular Formula
C19H18FN5O5S
SMILES
CN(C1=NC(=C(C2=C1C=CC=N2)O)C(=O)NCC3=C(C=C(C=C3)F)C(=O)N)S(=O)(=O)C
InChI
InChI=1S/C19H18FN5O5S/c1-25(31(2,29)30)18-12-4-3-7-22-14(12)16(26)15(24-18)19(28)23-9-10-5-6-11(20)8-13(10)17(21)27/h3-8,26H,9H2,1-2H3,(H2,21,27)(H,23,28)
InChIKey
ITTLNCKGYQDJSA-UHFFFAOYSA-N
Compound name
N-[(2-carbamoyl-4-fluorophenyl)methyl]-8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

447.10126 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.10854 199.6
[M+Na]+ 470.09048 206.2
[M-H]- 446.09398 203.2
[M+NH4]+ 465.13508 205.8
[M+K]+ 486.06442 202.2
[M+H-H2O]+ 430.09852 189.5
[M+HCOO]- 492.09946 212.4
[M+CH3COO]- 506.11511 237.9
[M+Na-2H]- 468.07593 202.2
[M]+ 447.10071 202.1
[M]- 447.10181 202.1
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.