CID 6451137

Cyclosulfamuron

Structural Information

Molecular Formula
C17H19N5O6S
SMILES
COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)NC2=CC=CC=C2C(=O)C3CC3)OC
InChI
InChI=1S/C17H19N5O6S/c1-27-13-9-14(28-2)19-16(18-13)20-17(24)22-29(25,26)21-12-6-4-3-5-11(12)15(23)10-7-8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H2,18,19,20,22,24)
InChIKey
OFSLKOLYLQSJPB-UHFFFAOYSA-N
Compound name
1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

24319
Patents

421.1056 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11288 192.2
[M+Na]+ 444.09482 198.5
[M-H]- 420.09832 199.5
[M+NH4]+ 439.13942 194.1
[M+K]+ 460.06876 193.3
[M+H-H2O]+ 404.10286 183.1
[M+HCOO]- 466.10380 209.6
[M+CH3COO]- 480.11945 229.7
[M+Na-2H]- 442.08027 196.2
[M]+ 421.10505 198.9
[M]- 421.10615 198.9
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.