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]+ 437.164196 202.4
[M+Na]+ 459.146138 210.8
[M-H]- 435.149644 208.0
[M+NH4]+ 454.190743 210.9
[M+K]+ 475.120078 203.7
[M+H-H2O]+ 419.154180 191.8
[M+HCOO]- 481.155121 218.0
[M+CH3COO]- 495.170771 210.8
[M+Na-2H]- 457.131586 210.8
[M]+ 436.15637142 208.8
[M]- 436.15746858 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.