CID 388035

Nsc682465

Structural Information

Molecular Formula
C16H16N6O6S
SMILES
CN1C=NC2=C(C1=O)C(=CC=C2)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC
InChI
InChI=1S/C16H16N6O6S/c1-22-8-17-9-5-4-6-10(13(9)14(22)23)29(25,26)21-16(24)20-15-18-11(27-2)7-12(19-15)28-3/h4-8H,1-3H3,(H2,18,19,20,21,24)
InChIKey
PXSMSZTYNJURNZ-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxypyrimidin-2-yl)-3-(3-methyl-4-oxoquinazolin-5-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

420.0852 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.09248 194.8
[M+Na]+ 443.07442 204.2
[M-H]- 419.07792 198.3
[M+NH4]+ 438.11902 200.3
[M+K]+ 459.04836 199.8
[M+H-H2O]+ 403.08246 184.8
[M+HCOO]- 465.08340 208.8
[M+CH3COO]- 479.09905 227.0
[M+Na-2H]- 441.05987 201.5
[M]+ 420.08465 202.0
[M]- 420.08575 202.0
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