CID 3054869

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

Structural Information

Molecular Formula
C22H22N4O3S
SMILES
CCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=NC3=NC4=CC=CC=C42)OC
InChI
InChI=1S/C22H22N4O3S/c1-3-13-30(27,28)26-15-10-11-19(20(14-15)29-2)24-21-16-7-4-5-9-18(16)25-22-17(21)8-6-12-23-22/h4-12,14,26H,3,13H2,1-2H3,(H,23,24,25)
InChIKey
RDWKCNLSNDYNMR-UHFFFAOYSA-N
Compound name
N-[4-(benzo[b][1,8]naphthyridin-5-ylamino)-3-methoxyphenyl]propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

422.14127 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14855 198.2
[M+Na]+ 445.13049 207.1
[M-H]- 421.13399 204.1
[M+NH4]+ 440.17509 207.4
[M+K]+ 461.10443 200.2
[M+H-H2O]+ 405.13853 187.9
[M+HCOO]- 467.13947 214.1
[M+CH3COO]- 481.15512 207.1
[M+Na-2H]- 443.11594 207.1
[M]+ 422.14072 204.4
[M]- 422.14182 204.4
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.