CID 3033748

92440-56-7

Structural Information

Molecular Formula
C14H17N3O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=S)N(C)C
InChI
InChI=1S/C14H17N3O3S/c1-4-20-10-7-5-9(6-8-10)17-13(19)11(16(2)3)12(18)15-14(17)21/h5-8,11H,4H2,1-3H3,(H,15,18,21)
InChIKey
QVVVBWKISMMSQQ-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.09906 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10634 170.9
[M+Na]+ 330.08828 181.8
[M+NH4]+ 325.13288 176.7
[M+K]+ 346.06222 174.7
[M-H]- 306.09178 172.9
[M+Na-2H]- 328.07373 174.8
[M]+ 307.09851 173.1
[M]- 307.09961 173.1
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.