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 169.4
[M+Na]+ 330.08828 176.8
[M-H]- 306.09178 173.5
[M+NH4]+ 325.13288 182.0
[M+K]+ 346.06222 172.5
[M+H-H2O]+ 290.09632 161.0
[M+HCOO]- 352.09726 182.7
[M+CH3COO]- 366.11291 207.8
[M+Na-2H]- 328.07373 167.9
[M]+ 307.09851 170.3
[M]- 307.09961 170.3
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.