CID 6434865

64059-38-7

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CC/C=C/CC1(C(=O)NC(=S)NC1=O)C(C)C
InChI
InChI=1S/C12H18N2O2S/c1-4-5-6-7-12(8(2)3)9(15)13-11(17)14-10(12)16/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15,16,17)/b6-5+
InChIKey
HFQMFEKXCNKUBF-AATRIKPKSA-N
Compound name
5-[(E)-pent-2-enyl]-5-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1089 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11618 162.0
[M+Na]+ 277.09812 170.4
[M+NH4]+ 272.14272 168.4
[M+K]+ 293.07206 161.7
[M-H]- 253.10162 159.9
[M+Na-2H]- 275.08357 163.5
[M]+ 254.10835 162.7
[M]- 254.10945 162.7
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.