CID 3033359

66941-64-8

Structural Information

Molecular Formula
C14H22N2O2S
SMILES
CCC1(C(=O)NC(=S)N(C1=O)CC=C)CCC(C)C
InChI
InChI=1S/C14H22N2O2S/c1-5-9-16-12(18)14(6-2,8-7-10(3)4)11(17)15-13(16)19/h5,10H,1,6-9H2,2-4H3,(H,15,17,19)
InChIKey
GJPOZHJTDBLWQV-UHFFFAOYSA-N
Compound name
5-ethyl-5-(3-methylbutyl)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1402 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14748 163.1
[M+Na]+ 305.12942 170.0
[M-H]- 281.13292 162.0
[M+NH4]+ 300.17402 178.6
[M+K]+ 321.10336 165.0
[M+H-H2O]+ 265.13746 157.5
[M+HCOO]- 327.13840 172.4
[M+CH3COO]- 341.15405 199.8
[M+Na-2H]- 303.11487 160.3
[M]+ 282.13965 163.3
[M]- 282.14075 163.3
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

No patent data available for this compound.