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]+ 413.091416 190.7
[M+Na]+ 435.073358 196.5
[M-H]- 411.076864 199.3
[M+NH4]+ 430.117963 195.4
[M+K]+ 451.047298 194.0
[M+H-H2O]+ 395.081400 180.1
[M+HCOO]- 457.082341 203.4
[M+CH3COO]- 471.097991 199.0
[M+Na-2H]- 433.058806 199.2
[M]+ 412.08359142 192.1
[M]- 412.08468858 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.