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 165.2
[M+Na]+ 314.09338 171.7
[M-H]- 290.09688 167.4
[M+NH4]+ 309.13798 179.4
[M+K]+ 330.06732 166.4
[M+H-H2O]+ 274.10142 157.8
[M+HCOO]- 336.10236 177.0
[M+CH3COO]- 350.11801 200.2
[M+Na-2H]- 312.07883 166.1
[M]+ 291.10361 162.5
[M]- 291.10471 162.5
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

patents stripe