CID 823238

113520-01-7

Structural Information

Molecular Formula
C12H12N2OS2
SMILES
C=CCN1C(=O)C2=C(NC1=S)SC3=C2CCC3
InChI
InChI=1S/C12H12N2OS2/c1-2-6-14-11(15)9-7-4-3-5-8(7)17-10(9)13-12(14)16/h2H,1,3-6H2,(H,13,16)
InChIKey
SRKGQOMPUYHFAP-UHFFFAOYSA-N
Compound name
11-prop-2-enyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

264.0391 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04638 158.4
[M+Na]+ 287.02832 170.5
[M+NH4]+ 282.07292 167.2
[M+K]+ 303.00226 162.9
[M-H]- 263.03182 159.4
[M+Na-2H]- 285.01377 160.4
[M]+ 264.03855 161.3
[M]- 264.03965 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.