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

literature stripe

Patent stripe

patents stripe