CID 149249

Methanesulfonanilide, 4'-((benzo(b)1,8-naphthyridin-5-yl)amino)-3'-methoxy-

Structural Information

Molecular Formula
C20H18N4O3S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=NC3=NC4=CC=CC=C42
InChI
InChI=1S/C20H18N4O3S/c1-27-18-12-13(24-28(2,25)26)9-10-17(18)22-19-14-6-3-4-8-16(14)23-20-15(19)7-5-11-21-20/h3-12,24H,1-2H3,(H,21,22,23)
InChIKey
ZBTMMMPMDJLYNC-UHFFFAOYSA-N
Compound name
N-[4-(benzo[b][1,8]naphthyridin-5-ylamino)-3-methoxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

394.10995 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.11723 189.3
[M+Na]+ 417.09917 205.0
[M+NH4]+ 412.14377 196.6
[M+K]+ 433.07311 195.2
[M-H]- 393.10267 194.5
[M+Na-2H]- 415.08462 198.8
[M]+ 394.10940 193.6
[M]- 394.11050 193.6
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.