CID 3068515

83494-81-9

Structural Information

Molecular Formula
C25H24N2O3
SMILES
C1CC2=C(C(=CO2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C(=O)C5=CC=CC=C51
InChI
InChI=1S/C25H24N2O3/c28-24-20-9-5-4-8-19(20)10-11-22-23(24)21(17-30-22)25(29)27-14-12-26(13-15-27)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2
InChIKey
QIAZLNLJXNXCHQ-UHFFFAOYSA-N
Compound name
4-(4-benzylpiperazine-1-carbonyl)-6-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.17868 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18596 202.2
[M+Na]+ 423.16790 214.2
[M+NH4]+ 418.21250 209.0
[M+K]+ 439.14184 208.9
[M-H]- 399.17140 208.2
[M+Na-2H]- 421.15335 207.0
[M]+ 400.17813 205.7
[M]- 400.17923 205.7
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

No patent data available for this compound.