CID 3066444

110406-32-1

Structural Information

Molecular Formula
C24H26FN3O
SMILES
C=CCN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)F
InChI
InChI=1S/C24H26FN3O/c1-2-14-27-15-5-6-20(13-16-27)28-24(29)22-8-4-3-7-21(22)23(26-28)17-18-9-11-19(25)12-10-18/h2-4,7-12,20H,1,5-6,13-17H2
InChIKey
CYZOQUAWZNKXSK-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)methyl]-2-(1-prop-2-enylazepan-4-yl)phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.206 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.21328 197.8
[M+Na]+ 414.19522 204.1
[M-H]- 390.19872 203.2
[M+NH4]+ 409.23982 205.3
[M+K]+ 430.16916 200.1
[M+H-H2O]+ 374.20326 185.0
[M+HCOO]- 436.20420 210.5
[M+CH3COO]- 450.21985 204.9
[M+Na-2H]- 412.18067 198.1
[M]+ 391.20545 191.6
[M]- 391.20655 191.6
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.