CID 414967

2,3-dihydro-2-(2-(2-pyridyl)-ethyl)-1,4-phthalazinedione

Structural Information

Molecular Formula
C15H13N3O2
SMILES
C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC3=CC=CC=N3
InChI
InChI=1S/C15H13N3O2/c19-14-12-6-1-2-7-13(12)15(20)18(17-14)10-8-11-5-3-4-9-16-11/h1-7,9H,8,10H2,(H,17,19)
InChIKey
SZCUIKPBXBGBRJ-UHFFFAOYSA-N
Compound name
3-(2-pyridin-2-ylethyl)-2H-phthalazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 160.2
[M+Na]+ 290.08999 176.9
[M+NH4]+ 285.13459 167.3
[M+K]+ 306.06393 168.8
[M-H]- 266.09349 163.1
[M+Na-2H]- 288.07544 169.2
[M]+ 267.10022 163.4
[M]- 267.10132 163.4
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