CID 3035291

1153-04-4

Structural Information

Molecular Formula
C14H17N3O2S
SMILES
CN(C)CCC1(C(=O)NC(=S)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C14H17N3O2S/c1-17(2)9-8-14(10-6-4-3-5-7-10)11(18)15-13(20)16-12(14)19/h3-7H,8-9H2,1-2H3,(H2,15,16,18,19,20)
InChIKey
WNLHDOULZOVWPU-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10416 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11144 166.4
[M+Na]+ 314.09338 176.7
[M+NH4]+ 309.13798 173.9
[M+K]+ 330.06732 167.4
[M-H]- 290.09688 168.2
[M+Na-2H]- 312.07883 172.5
[M]+ 291.10361 168.6
[M]- 291.10471 168.6
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.