CID 3035303

1155-92-6

Structural Information

Molecular Formula
C15H19N3O2S
SMILES
CC(CC1(C(=O)NC(=S)NC1=O)C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C15H19N3O2S/c1-10(18(2)3)9-15(11-7-5-4-6-8-11)12(19)16-14(21)17-13(15)20/h4-8,10H,9H2,1-3H3,(H2,16,17,19,20,21)
InChIKey
CYCLMLSKGDPBNS-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)propyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

305.1198 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.127076 169.1
[M+Na]+ 328.109018 174.8
[M-H]- 304.112524 171.2
[M+NH4]+ 323.153623 182.6
[M+K]+ 344.082958 169.8
[M+H-H2O]+ 288.117060 161.7
[M+HCOO]- 350.118001 179.5
[M+CH3COO]- 364.133651 204.1
[M+Na-2H]- 326.094466 168.6
[M]+ 305.11925142 166.2
[M]- 305.12034858 166.2
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