CID 134692036

3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-n,n-dimethylbenzamide

Structural Information

Molecular Formula
C16H20N6O6S
SMILES
CN(C)C(=O)C1=CC(=CC=C1)NS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
InChI
InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-6-5-7-11(8-10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)
InChIKey
ZYTDPWFEPDOYMB-UHFFFAOYSA-N
Compound name
3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.11652 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.12380 191.9
[M+Na]+ 447.10574 198.3
[M+NH4]+ 442.15034 193.7
[M+K]+ 463.07968 195.7
[M-H]- 423.10924 192.6
[M+Na-2H]- 445.09119 196.6
[M]+ 424.11597 192.7
[M]- 424.11707 192.7
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

No patent data available for this compound.