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]+ 255.116176 157.0
[M+Na]+ 277.098118 163.6
[M-H]- 253.101624 154.6
[M+NH4]+ 272.142723 172.8
[M+K]+ 293.072058 158.2
[M+H-H2O]+ 237.106160 151.8
[M+HCOO]- 299.107101 165.5
[M+CH3COO]- 313.122751 189.5
[M+Na-2H]- 275.083566 155.2
[M]+ 254.10835142 154.2
[M]- 254.10944858 154.2
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

No patent data available for this compound.