CID 678138

Mls000736906

Structural Information

Molecular Formula
C15H17N3O2S
SMILES
CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O
InChI
InChI=1S/C15H17N3O2S/c1-3-18(4-2)11-7-5-10(6-8-11)9-12-13(19)16-15(21)17-14(12)20/h5-9H,3-4H2,1-2H3,(H2,16,17,19,20,21)
InChIKey
UWGKOXLKMHPSTG-UHFFFAOYSA-N
Compound name
5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

303.10416 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11144 171.2
[M+Na]+ 326.09338 181.6
[M+NH4]+ 321.13798 176.8
[M+K]+ 342.06732 173.7
[M-H]- 302.09688 172.8
[M+Na-2H]- 324.07883 174.9
[M]+ 303.10361 173.2
[M]- 303.10471 173.2
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