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]+ 451.17986 206.6
[M+Na]+ 473.16180 221.4
[M+NH4]+ 468.20640 213.2
[M+K]+ 489.13574 210.7
[M-H]- 449.16530 211.6
[M+Na-2H]- 471.14725 215.1
[M]+ 450.17203 210.7
[M]- 450.17313 210.7
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.