CID 3054871

1-pentanesulfonanilide, 4'-(benzo(b)(1,8)naphthyridin-5-ylamino)-3'-methoxy-, hydrochloride

Structural Information

Molecular Formula
C24H26N4O3S
SMILES
CCCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=NC3=NC4=CC=CC=C42)OC
InChI
InChI=1S/C24H26N4O3S/c1-3-4-7-15-32(29,30)28-17-12-13-21(22(16-17)31-2)26-23-18-9-5-6-11-20(18)27-24-19(23)10-8-14-25-24/h5-6,8-14,16,28H,3-4,7,15H2,1-2H3,(H,25,26,27)
InChIKey
WMQZGIGLGSIZLF-UHFFFAOYSA-N
Compound name
N-[4-(benzo[b][1,8]naphthyridin-5-ylamino)-3-methoxyphenyl]pentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

450.17258 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.179856 206.5
[M+Na]+ 473.161798 214.4
[M-H]- 449.165304 211.9
[M+NH4]+ 468.206403 214.5
[M+K]+ 489.135738 207.2
[M+H-H2O]+ 433.169840 195.7
[M+HCOO]- 495.170781 221.7
[M+CH3COO]- 509.186431 235.8
[M+Na-2H]- 471.147246 214.5
[M]+ 450.17203142 213.2
[M]- 450.17312858 213.2
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.