CID 51416

71802-95-4

Structural Information

Molecular Formula
C23H24N4O3S
SMILES
CCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=NC3=NC4=CC=CC=C42)OC
InChI
InChI=1S/C23H24N4O3S/c1-3-4-14-31(28,29)27-16-11-12-20(21(15-16)30-2)25-22-17-8-5-6-10-19(17)26-23-18(22)9-7-13-24-23/h5-13,15,27H,3-4,14H2,1-2H3,(H,24,25,26)
InChIKey
ZXDDICZULNTFIM-UHFFFAOYSA-N
Compound name
N-[4-(benzo[b][1,8]naphthyridin-5-ylamino)-3-methoxyphenyl]butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.15692 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.16420 202.3
[M+Na]+ 459.14614 217.3
[M+NH4]+ 454.19074 209.0
[M+K]+ 475.12008 206.8
[M-H]- 435.14964 207.3
[M+Na-2H]- 457.13159 211.0
[M]+ 436.15637 206.5
[M]- 436.15747 206.5
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

No patent data available for this compound.