CID 139597115

Dtxsid301028721

Structural Information

Molecular Formula
C11H14ClN5O5S
SMILES
C1=CC=C(C(=C1)OCCCl)S(=O)(=O)NC(=O)NC(=N)NC(=O)N
InChI
InChI=1S/C11H14ClN5O5S/c12-5-6-22-7-3-1-2-4-8(7)23(20,21)17-11(19)16-9(13)15-10(14)18/h1-4H,5-6H2,(H6,13,14,15,16,17,18,19)
InChIKey
SMCCHPOKOJCGBB-UHFFFAOYSA-N
Compound name
1-(N-carbamoylcarbamimidoyl)-3-[2-(2-chloroethoxy)phenyl]sulfonylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

363.0404 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.04768 176.0
[M+Na]+ 386.02962 179.6
[M-H]- 362.03312 178.7
[M+NH4]+ 381.07422 187.2
[M+K]+ 402.00356 176.1
[M+H-H2O]+ 346.03766 168.9
[M+HCOO]- 408.03860 191.5
[M+CH3COO]- 422.05425 218.0
[M+Na-2H]- 384.01507 178.8
[M]+ 363.03985 176.8
[M]- 363.04095 176.8
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

No patent data available for this compound.