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]+ 361.227426 190.0
[M+Na]+ 383.209368 193.2
[M-H]- 359.212874 197.2
[M+NH4]+ 378.253973 204.2
[M+K]+ 399.183308 186.5
[M+H-H2O]+ 343.217410 179.6
[M+HCOO]- 405.218351 202.7
[M+CH3COO]- 419.234001 197.8
[M+Na-2H]- 381.194816 185.8
[M]+ 360.21960142 183.8
[M]- 360.22069858 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.