CID 2788595

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Structural Information

Molecular Formula
C19H16N4O5S
SMILES
C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4
InChI
InChI=1S/C19H16N4O5S/c24-18(17-12-27-15-4-1-2-5-16(15)28-17)22-13-6-8-14(9-7-13)29(25,26)23-19-20-10-3-11-21-19/h1-11,17H,12H2,(H,22,24)(H,20,21,23)
InChIKey
OYKFOAVAWYJLKC-UHFFFAOYSA-N
Compound name
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

412.08414 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.09142 190.7
[M+Na]+ 435.07336 196.5
[M-H]- 411.07686 199.3
[M+NH4]+ 430.11796 195.4
[M+K]+ 451.04730 194.0
[M+H-H2O]+ 395.08140 180.1
[M+HCOO]- 457.08234 203.4
[M+CH3COO]- 471.09799 199.0
[M+Na-2H]- 433.05881 199.2
[M]+ 412.08359 192.1
[M]- 412.08469 192.1
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.