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 202.4
[M+Na]+ 459.14614 210.8
[M-H]- 435.14964 208.0
[M+NH4]+ 454.19074 210.9
[M+K]+ 475.12008 203.7
[M+H-H2O]+ 419.15418 191.8
[M+HCOO]- 481.15512 218.0
[M+CH3COO]- 495.17077 210.8
[M+Na-2H]- 457.13159 210.8
[M]+ 436.15637 208.8
[M]- 436.15747 208.8
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.