CID 9588331

2h-1,3-thiazine-2,4(3h)-dione, dihydro-3-(phenylmethyl)-, 2-(1-phthalazinylhydrazone)

Structural Information

Molecular Formula
C19H17N5OS
SMILES
C1CS/C(=N/NC2=NN=CC3=CC=CC=C32)/N(C1=O)CC4=CC=CC=C4
InChI
InChI=1S/C19H17N5OS/c25-17-10-11-26-19(24(17)13-14-6-2-1-3-7-14)23-22-18-16-9-5-4-8-15(16)12-20-21-18/h1-9,12H,10-11,13H2,(H,21,22)/b23-19+
InChIKey
SPVRQASMDYTEEF-FCDQGJHFSA-N
Compound name
(2E)-3-benzyl-2-(phthalazin-1-ylhydrazinylidene)-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.1154 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12268 181.7
[M+Na]+ 386.10462 188.3
[M-H]- 362.10812 188.5
[M+NH4]+ 381.14922 190.9
[M+K]+ 402.07856 180.9
[M+H-H2O]+ 346.11266 170.0
[M+HCOO]- 408.11360 196.4
[M+CH3COO]- 422.12925 190.3
[M+Na-2H]- 384.09007 187.4
[M]+ 363.11485 179.6
[M]- 363.11595 179.6
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.