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 206.5
[M+Na]+ 473.16180 214.4
[M-H]- 449.16530 211.9
[M+NH4]+ 468.20640 214.5
[M+K]+ 489.13574 207.2
[M+H-H2O]+ 433.16984 195.7
[M+HCOO]- 495.17078 221.7
[M+CH3COO]- 509.18643 235.8
[M+Na-2H]- 471.14725 214.5
[M]+ 450.17203 213.2
[M]- 450.17313 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.