CID 9588330

3-(2-propenyl)-2h-1,3-dihydrothiazine-2,4(3h)-dione 2-(1-phthalazinylhydrazone)

Structural Information

Molecular Formula
C15H15N5OS
SMILES
C=CCN\1C(=O)CCS/C1=N/NC2=NN=CC3=CC=CC=C32
InChI
InChI=1S/C15H15N5OS/c1-2-8-20-13(21)7-9-22-15(20)19-18-14-12-6-4-3-5-11(12)10-16-17-14/h2-6,10H,1,7-9H2,(H,17,18)/b19-15+
InChIKey
SGYDEWYJIKRXFC-XDJHFCHBSA-N
Compound name
(2E)-2-(phthalazin-1-ylhydrazinylidene)-3-prop-2-enyl-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.09973 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10701 169.9
[M+Na]+ 336.08895 177.2
[M-H]- 312.09245 174.0
[M+NH4]+ 331.13355 181.8
[M+K]+ 352.06289 170.7
[M+H-H2O]+ 296.09699 159.8
[M+HCOO]- 358.09793 184.8
[M+CH3COO]- 372.11358 179.5
[M+Na-2H]- 334.07440 174.8
[M]+ 313.09918 168.5
[M]- 313.10028 168.5
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.