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 169.4
[M+Na]+ 328.10902 175.3
[M-H]- 304.11252 171.4
[M+NH4]+ 323.15362 182.9
[M+K]+ 344.08296 169.8
[M+H-H2O]+ 288.11706 161.7
[M+HCOO]- 350.11800 180.8
[M+CH3COO]- 364.13365 203.2
[M+Na-2H]- 326.09447 169.8
[M]+ 305.11925 167.0
[M]- 305.12035 167.0
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