CID 3040716

Brn 0849684

Structural Information

Molecular Formula
C26H29N3O
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H29N3O/c1-22-10-8-9-15-25(22)28-20-18-27(19-21-28)17-16-26(30)29(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-15H,16-21H2,1H3
InChIKey
VMULUWLHIIOXBI-UHFFFAOYSA-N
Compound name
3-[4-(2-methylphenyl)piperazin-1-yl]-N,N-diphenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.23105 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.23833 200.0
[M+Na]+ 422.22027 201.5
[M-H]- 398.22377 208.9
[M+NH4]+ 417.26487 206.6
[M+K]+ 438.19421 195.4
[M+H-H2O]+ 382.22831 186.2
[M+HCOO]- 444.22925 216.3
[M+CH3COO]- 458.24490 206.7
[M+Na-2H]- 420.20572 200.7
[M]+ 399.23050 195.3
[M]- 399.23160 195.3
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.