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 193.7
[M+Na]+ 447.10574 198.1
[M-H]- 423.10924 199.4
[M+NH4]+ 442.15034 200.2
[M+K]+ 463.07968 196.9
[M+H-H2O]+ 407.11378 183.3
[M+HCOO]- 469.11472 212.2
[M+CH3COO]- 483.13037 234.8
[M+Na-2H]- 445.09119 198.3
[M]+ 424.11597 199.4
[M]- 424.11707 199.4
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.