CID 3035305

1155-94-8

Structural Information

Molecular Formula
C15H19N3O2S
SMILES
CN(C)CCCC1(C(=O)NC(=S)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C15H19N3O2S/c1-18(2)10-6-9-15(11-7-4-3-5-8-11)12(19)16-14(21)17-13(15)20/h3-5,7-8H,6,9-10H2,1-2H3,(H2,16,17,19,20,21)
InChIKey
WCMKYYZNQQTOQN-UHFFFAOYSA-N
Compound name
5-[3-(dimethylamino)propyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1198 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12708 170.6
[M+Na]+ 328.10902 180.6
[M+NH4]+ 323.15362 177.9
[M+K]+ 344.08296 171.1
[M-H]- 304.11252 172.3
[M+Na-2H]- 326.09447 176.4
[M]+ 305.11925 172.8
[M]- 305.12035 172.8
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.