CID 414968

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

Structural Information

Molecular Formula
C15H13N3O2
SMILES
C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC3=CC=NC=C3
InChI
InChI=1S/C15H13N3O2/c19-14-12-3-1-2-4-13(12)15(20)18(17-14)10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H,17,19)
InChIKey
LJBDJGSSXAENHY-UHFFFAOYSA-N
Compound name
3-(2-pyridin-4-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 160.5
[M+Na]+ 290.08999 170.8
[M-H]- 266.09349 163.1
[M+NH4]+ 285.13459 173.0
[M+K]+ 306.06393 164.1
[M+H-H2O]+ 250.09803 150.5
[M+HCOO]- 312.09897 179.3
[M+CH3COO]- 326.11462 171.6
[M+Na-2H]- 288.07544 168.5
[M]+ 267.10022 160.7
[M]- 267.10132 160.7
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