CID 3058676

75463-58-0

Structural Information

Molecular Formula
C24H29N3O
SMILES
C1CC2=CC3=C(C=C2C1)C(CC3)NC(=O)CN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C24H29N3O/c28-24(17-26-11-13-27(14-12-26)21-7-2-1-3-8-21)25-23-10-9-20-15-18-5-4-6-19(18)16-22(20)23/h1-3,7-8,15-16,23H,4-6,9-14,17H2,(H,25,28)
InChIKey
XQVCQNWVXJOAAN-UHFFFAOYSA-N
Compound name
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.23105 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.238326 190.8
[M+Na]+ 398.220268 193.2
[M-H]- 374.223774 198.0
[M+NH4]+ 393.264873 204.2
[M+K]+ 414.194208 186.7
[M+H-H2O]+ 358.228310 180.3
[M+HCOO]- 420.229251 204.6
[M+CH3COO]- 434.244901 198.2
[M+Na-2H]- 396.205716 187.9
[M]+ 375.23050142 184.1
[M]- 375.23159858 184.1
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.