CID 9578443

Ar 2425

Structural Information

Molecular Formula
C15H22N4O5S
SMILES
CCN(CC)CCN1C(=O)CN(C1=O)/N=C/C2=CC=C(O2)S(=O)(=O)C
InChI
InChI=1S/C15H22N4O5S/c1-4-17(5-2)8-9-18-13(20)11-19(15(18)21)16-10-12-6-7-14(24-12)25(3,22)23/h6-7,10H,4-5,8-9,11H2,1-3H3/b16-10+
InChIKey
HGTCZIYKKCWRLR-MHWRWJLKSA-N
Compound name
3-[2-(diethylamino)ethyl]-1-[(E)-(5-methylsulfonylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1311 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13838 186.5
[M+Na]+ 393.12032 193.9
[M-H]- 369.12382 194.6
[M+NH4]+ 388.16492 199.8
[M+K]+ 409.09426 193.2
[M+H-H2O]+ 353.12836 179.4
[M+HCOO]- 415.12930 205.0
[M+CH3COO]- 429.14495 221.7
[M+Na-2H]- 391.10577 185.2
[M]+ 370.13055 194.7
[M]- 370.13165 194.7
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.