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

23007
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

literature stripe

Patent stripe

patents stripe