CID 3071237

1,2,4-triazolo(3,4-a)phthalazine, 6-(ethylsulfonyl)-3-phenyl-

Structural Information

Molecular Formula
C17H14N4O2S
SMILES
CCS(=O)(=O)C1=NN2C(=NN=C2C3=CC=CC=C31)C4=CC=CC=C4
InChI
InChI=1S/C17H14N4O2S/c1-2-24(22,23)17-14-11-7-6-10-13(14)16-19-18-15(21(16)20-17)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKey
SEGVECWKBMDZJR-UHFFFAOYSA-N
Compound name
6-ethylsulfonyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

338.08374 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09102 176.3
[M+Na]+ 361.07296 193.0
[M+NH4]+ 356.11756 183.8
[M+K]+ 377.04690 185.2
[M-H]- 337.07646 179.1
[M+Na-2H]- 359.05841 184.7
[M]+ 338.08319 180.2
[M]- 338.08429 180.2
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

patents stripe