CID 3054867

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

Structural Information

Molecular Formula
C21H20N4O3S
SMILES
CCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=NC3=NC4=CC=CC=C42)OC
InChI
InChI=1S/C21H20N4O3S/c1-3-29(26,27)25-14-10-11-18(19(13-14)28-2)23-20-15-7-4-5-9-17(15)24-21-16(20)8-6-12-22-21/h4-13,25H,3H2,1-2H3,(H,22,23,24)
InChIKey
MUCUELHXSLCCLY-UHFFFAOYSA-N
Compound name
N-[4-(benzo[b][1,8]naphthyridin-5-ylamino)-3-methoxyphenyl]ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

408.1256 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.13288 194.0
[M+Na]+ 431.11482 203.4
[M-H]- 407.11832 200.1
[M+NH4]+ 426.15942 203.8
[M+K]+ 447.08876 196.7
[M+H-H2O]+ 391.12286 183.9
[M+HCOO]- 453.12380 210.3
[M+CH3COO]- 467.13945 203.4
[M+Na-2H]- 429.10027 203.4
[M]+ 408.12505 199.9
[M]- 408.12615 199.9
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.