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]+ 376.23833 190.8
[M+Na]+ 398.22027 193.2
[M-H]- 374.22377 198.0
[M+NH4]+ 393.26487 204.2
[M+K]+ 414.19421 186.7
[M+H-H2O]+ 358.22831 180.3
[M+HCOO]- 420.22925 204.6
[M+CH3COO]- 434.24490 198.2
[M+Na-2H]- 396.20572 187.9
[M]+ 375.23050 184.1
[M]- 375.23160 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.