CID 3040740

Brn 0852237

Structural Information

Molecular Formula
C25H27N3O2
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)CC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H27N3O2/c1-30-24-14-8-13-23(19-24)27-17-15-26(16-18-27)20-25(29)28(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19H,15-18,20H2,1H3
InChIKey
OJIQYADBXSQJER-UHFFFAOYSA-N
Compound name
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.21033 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21761 198.5
[M+Na]+ 424.19955 200.3
[M-H]- 400.20305 207.7
[M+NH4]+ 419.24415 204.9
[M+K]+ 440.17349 195.2
[M+H-H2O]+ 384.20759 184.8
[M+HCOO]- 446.20853 215.3
[M+CH3COO]- 460.22418 205.6
[M+Na-2H]- 422.18500 199.9
[M]+ 401.20978 194.9
[M]- 401.21088 194.9
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

No patent data available for this compound.