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

0
Patents

305.1198 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12708 169.1
[M+Na]+ 328.10902 174.8
[M-H]- 304.11252 171.2
[M+NH4]+ 323.15362 182.6
[M+K]+ 344.08296 169.8
[M+H-H2O]+ 288.11706 161.7
[M+HCOO]- 350.11800 179.5
[M+CH3COO]- 364.13365 204.1
[M+Na-2H]- 326.09447 168.6
[M]+ 305.11925 166.2
[M]- 305.12035 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