CID 3040708

Brn 0849971

Structural Information

Molecular Formula
C27H31N3O
SMILES
C1CN(CCN1CCC2=CC=CC=C2)CCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H31N3O/c31-27(30(25-12-6-2-7-13-25)26-14-8-3-9-15-26)17-19-29-22-20-28(21-23-29)18-16-24-10-4-1-5-11-24/h1-15H,16-23H2
InChIKey
XRYLYVIBHKDYCM-UHFFFAOYSA-N
Compound name
N,N-diphenyl-3-[4-(2-phenylethyl)piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.2467 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.25398 203.4
[M+Na]+ 436.23592 203.5
[M-H]- 412.23942 211.7
[M+NH4]+ 431.28052 209.1
[M+K]+ 452.20986 197.2
[M+H-H2O]+ 396.24396 189.2
[M+HCOO]- 458.24490 219.3
[M+CH3COO]- 472.26055 209.4
[M+Na-2H]- 434.22137 204.4
[M]+ 413.24615 198.6
[M]- 413.24725 198.6
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.