CID 514971

Schembl7464238

Structural Information

Molecular Formula
C26H34N4O2
SMILES
CN1CC(CC1=O)C(=O)N(CCCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H34N4O2/c1-27-21-23(19-25(27)31)26(32)30(24-11-6-3-7-12-24)14-8-13-28-15-17-29(18-16-28)20-22-9-4-2-5-10-22/h2-7,9-12,23H,8,13-21H2,1H3
InChIKey
HABZOPBCQHIZCB-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperazin-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

434.2682 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.27548 208.5
[M+Na]+ 457.25742 208.9
[M-H]- 433.26092 216.3
[M+NH4]+ 452.30202 214.3
[M+K]+ 473.23136 203.5
[M+H-H2O]+ 417.26546 194.9
[M+HCOO]- 479.26640 222.0
[M+CH3COO]- 493.28205 233.5
[M+Na-2H]- 455.24287 203.8
[M]+ 434.26765 203.7
[M]- 434.26875 203.7
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.