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

literature stripe

Patent stripe

patents stripe