CID 3035301

1153-03-3

Structural Information

Molecular Formula
C14H23N3O2S
SMILES
CN(C)CCC1(C(=O)NC(=S)NC1=O)C2CCCCC2
InChI
InChI=1S/C14H23N3O2S/c1-17(2)9-8-14(10-6-4-3-5-7-10)11(18)15-13(20)16-12(14)19/h10H,3-9H2,1-2H3,(H2,15,16,18,19,20)
InChIKey
VUKRSHIOIGRHRP-UHFFFAOYSA-N
Compound name
5-cyclohexyl-5-[2-(dimethylamino)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1511 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15838 169.2
[M+Na]+ 320.14032 172.5
[M-H]- 296.14382 170.1
[M+NH4]+ 315.18492 182.8
[M+K]+ 336.11426 168.0
[M+H-H2O]+ 280.14836 161.9
[M+HCOO]- 342.14930 176.6
[M+CH3COO]- 356.16495 201.4
[M+Na-2H]- 318.12577 167.3
[M]+ 297.15055 162.3
[M]- 297.15165 162.3
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