CID 213014

Schembl1537350

Structural Information

Molecular Formula
C17H20N6O7S
SMILES
CN(C)C(=O)C1=C(C(=CC=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
InChI
InChI=1S/C17H20N6O7S/c1-23(2)15(25)10-6-5-7-11(18-9-24)14(10)31(27,28)22-17(26)21-16-19-12(29-3)8-13(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)
InChIKey
HICJAEZEEBOKGV-UHFFFAOYSA-N
Compound name
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-3-formamido-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

130
Patents

452.11142 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.11870 200.0
[M+Na]+ 475.10064 204.5
[M-H]- 451.10414 205.7
[M+NH4]+ 470.14524 205.3
[M+K]+ 491.07458 203.4
[M+H-H2O]+ 435.10868 189.4
[M+HCOO]- 497.10962 218.3
[M+CH3COO]- 511.12527 240.7
[M+Na-2H]- 473.08609 203.7
[M]+ 452.11087 207.0
[M]- 452.11197 207.0
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

patents stripe