CID 3058662

Vufb10,545

Structural Information

Molecular Formula
C24H31N3
SMILES
C1CC2=CC3=C(C=C2C1)C(CC3)NCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C24H31N3/c1-2-7-22(8-3-1)27-15-13-26(14-16-27)12-11-25-24-10-9-21-17-19-5-4-6-20(19)18-23(21)24/h1-3,7-8,17-18,24-25H,4-6,9-16H2
InChIKey
IDJUBUPWGLMOGO-UHFFFAOYSA-N
Compound name
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2518 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.25908 187.7
[M+Na]+ 384.24102 190.3
[M-H]- 360.24452 194.7
[M+NH4]+ 379.28562 201.9
[M+K]+ 400.21496 183.1
[M+H-H2O]+ 344.24906 176.9
[M+HCOO]- 406.25000 202.2
[M+CH3COO]- 420.26565 195.4
[M+Na-2H]- 382.22647 185.7
[M]+ 361.25125 181.0
[M]- 361.25235 181.0
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.