CID 978637

2-bromo-3,4,5-trimethoxy-n-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

Structural Information

Molecular Formula
C20H19BrN4O6S
SMILES
COC1=C(C(=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)Br)OC)OC
InChI
InChI=1S/C20H19BrN4O6S/c1-29-15-11-14(16(21)18(31-3)17(15)30-2)19(26)24-12-5-7-13(8-6-12)32(27,28)25-20-22-9-4-10-23-20/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
InChIKey
UNIMAABQROONKK-UHFFFAOYSA-N
Compound name
2-bromo-3,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

522.0209 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.02818 196.7
[M+Na]+ 545.01012 199.5
[M+NH4]+ 540.05472 197.3
[M+K]+ 560.98406 199.7
[M-H]- 521.01362 198.5
[M+Na-2H]- 542.99557 201.5
[M]+ 522.02035 196.7
[M]- 522.02145 196.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe