CID 3066507

110406-69-4

Structural Information

Molecular Formula
C24H26FN3O
SMILES
C1CC1CN2CCC(CC2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F
InChI
InChI=1S/C24H26FN3O/c25-19-9-7-17(8-10-19)15-23-21-3-1-2-4-22(21)24(29)28(26-23)20-11-13-27(14-12-20)16-18-5-6-18/h1-4,7-10,18,20H,5-6,11-16H2
InChIKey
BXGMMIDAOMHSDM-UHFFFAOYSA-N
Compound name
2-[1-(cyclopropylmethyl)piperidin-4-yl]-4-[(4-fluorophenyl)methyl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.206 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.21328 203.0
[M+Na]+ 414.19522 211.0
[M-H]- 390.19872 209.9
[M+NH4]+ 409.23982 206.0
[M+K]+ 430.16916 202.2
[M+H-H2O]+ 374.20326 189.2
[M+HCOO]- 436.20420 216.3
[M+CH3COO]- 450.21985 209.6
[M+Na-2H]- 412.18067 202.9
[M]+ 391.20545 200.5
[M]- 391.20655 200.5
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.