CID 152610

Brn 0768380

Structural Information

Molecular Formula
C20H18N4O3S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CN=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C20H18N4O3S/c1-27-19-11-13(24-28(2,25)26)7-8-17(19)23-20-14-5-3-4-6-16(14)22-18-12-21-10-9-15(18)20/h3-12,24H,1-2H3,(H,22,23)
InChIKey
LFLVIEIBRNBKFE-UHFFFAOYSA-N
Compound name
N-[4-(benzo[b][1,7]naphthyridin-5-ylamino)-3-methoxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

394.10995 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.11723 189.8
[M+Na]+ 417.09917 199.7
[M-H]- 393.10267 196.1
[M+NH4]+ 412.14377 200.2
[M+K]+ 433.07311 193.2
[M+H-H2O]+ 377.10721 180.0
[M+HCOO]- 439.10815 206.5
[M+CH3COO]- 453.12380 199.6
[M+Na-2H]- 415.08462 199.7
[M]+ 394.10940 195.4
[M]- 394.11050 195.4
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.