CID 169436946

1460272-53-0

Structural Information

Molecular Formula
C24H23FN4O4
SMILES
C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)C(C4=NNC(=O)C5=CC=CC=C54)O)F
InChI
InChI=1S/C24H23FN4O4/c25-19-8-7-15(21(30)20-16-3-1-2-4-17(16)22(31)27-26-20)13-18(19)24(33)29-11-9-28(10-12-29)23(32)14-5-6-14/h1-4,7-8,13-14,21,30H,5-6,9-12H2,(H,27,31)
InChIKey
ZXEUVLDIXBFJCR-UHFFFAOYSA-N
Compound name
4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]-hydroxymethyl]-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.17032 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.17760 210.3
[M+Na]+ 473.15954 223.5
[M+NH4]+ 468.20414 214.4
[M+K]+ 489.13348 219.4
[M-H]- 449.16304 219.0
[M+Na-2H]- 471.14499 217.2
[M]+ 450.16977 215.3
[M]- 450.17087 215.3
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

No patent data available for this compound.