CID 1584

2-phenethyl-2,3-dihydro-phthalazine-1,4-dione

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C16H14N2O2/c19-15-13-8-4-5-9-14(13)16(20)18(17-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19)
InChIKey
JSSVIGGKHIJEHO-UHFFFAOYSA-N
Compound name
3-(2-phenylethyl)-2H-phthalazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

266.10553 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 159.6
[M+Na]+ 289.09475 169.5
[M-H]- 265.09825 163.6
[M+NH4]+ 284.13935 173.7
[M+K]+ 305.06869 163.0
[M+H-H2O]+ 249.10279 150.4
[M+HCOO]- 311.10373 179.5
[M+CH3COO]- 325.11938 171.2
[M+Na-2H]- 287.08020 167.1
[M]+ 266.10498 159.8
[M]- 266.10608 159.8
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

patents stripe