CID 3051294

Vufb-10558

Structural Information

Molecular Formula
C24H28N2O
SMILES
C1CC2=CC3=C(CCC3)C(=C2C1)C(=O)CN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C24H28N2O/c27-23(17-25-12-14-26(15-13-25)20-8-2-1-3-9-20)24-21-10-4-6-18(21)16-19-7-5-11-22(19)24/h1-3,8-9,16H,4-7,10-15,17H2
InChIKey
ZUZIXMTWKRIOHC-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.22015 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.22743 190.0
[M+Na]+ 383.20937 193.2
[M-H]- 359.21287 197.2
[M+NH4]+ 378.25397 204.2
[M+K]+ 399.18331 186.5
[M+H-H2O]+ 343.21741 179.6
[M+HCOO]- 405.21835 202.7
[M+CH3COO]- 419.23400 197.8
[M+Na-2H]- 381.19482 185.8
[M]+ 360.21960 183.8
[M]- 360.22070 183.8
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.