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 211.7
[M+Na]+ 473.15954 218.0
[M-H]- 449.16304 215.3
[M+NH4]+ 468.20414 209.2
[M+K]+ 489.13348 209.3
[M+H-H2O]+ 433.16758 199.3
[M+HCOO]- 495.16852 218.9
[M+CH3COO]- 509.18417 215.9
[M+Na-2H]- 471.14499 208.8
[M]+ 450.16977 207.9
[M]- 450.17087 207.9
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.