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]+ 268.108046 160.5
[M+Na]+ 290.089988 170.8
[M-H]- 266.093494 163.1
[M+NH4]+ 285.134593 173.0
[M+K]+ 306.063928 164.1
[M+H-H2O]+ 250.098030 150.5
[M+HCOO]- 312.098971 179.3
[M+CH3COO]- 326.114621 171.6
[M+Na-2H]- 288.075436 168.5
[M]+ 267.10022142 160.7
[M]- 267.10131858 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