CID 514972

Schembl7456202

Structural Information

Molecular Formula
C26H32N4O3
SMILES
CN1CC(CC1=O)C(=O)N(CCCN2CCN(CC2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H32N4O3/c1-27-20-22(19-24(27)31)26(33)30(23-11-6-3-7-12-23)14-8-13-28-15-17-29(18-16-28)25(32)21-9-4-2-5-10-21/h2-7,9-12,22H,8,13-20H2,1H3
InChIKey
WCLVECKTWJQUTF-UHFFFAOYSA-N
Compound name
N-[3-(4-benzoylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

448.24744 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.25472 209.9
[M+Na]+ 471.23666 210.1
[M-H]- 447.24016 217.9
[M+NH4]+ 466.28126 215.0
[M+K]+ 487.21060 205.5
[M+H-H2O]+ 431.24470 196.6
[M+HCOO]- 493.24564 222.8
[M+CH3COO]- 507.26129 235.2
[M+Na-2H]- 469.22211 204.5
[M]+ 448.24689 205.2
[M]- 448.24799 205.2
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.