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 181.1
[M+Na]+ 386.10462 195.8
[M+NH4]+ 381.14922 189.2
[M+K]+ 402.07856 184.8
[M-H]- 362.10812 188.2
[M+Na-2H]- 384.09007 191.4
[M]+ 363.11485 185.6
[M]- 363.11595 185.6
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.