CID 3013404

Schembl4763118

Structural Information

Molecular Formula
C22H23N5O5S
SMILES
CNC(=O)C1=CC=CC=C1CNC(=O)C2=C(C3=C(C=CC=N3)C(=N2)N4CCCCS4(=O)=O)O
InChI
InChI=1S/C22H23N5O5S/c1-23-21(29)15-8-3-2-7-14(15)13-25-22(30)18-19(28)17-16(9-6-10-24-17)20(26-18)27-11-4-5-12-33(27,31)32/h2-3,6-10,28H,4-5,11-13H2,1H3,(H,23,29)(H,25,30)
InChIKey
HGZPYJPZZSEFKV-UHFFFAOYSA-N
Compound name
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

469.142 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.14928 205.2
[M+Na]+ 492.13122 210.5
[M-H]- 468.13472 209.8
[M+NH4]+ 487.17582 210.5
[M+K]+ 508.10516 205.0
[M+H-H2O]+ 452.13926 194.6
[M+HCOO]- 514.14020 214.7
[M+CH3COO]- 528.15585 234.8
[M+Na-2H]- 490.11667 208.3
[M]+ 469.14145 205.0
[M]- 469.14255 205.0
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