CID 3043050

N,n-diphenyl-4-(2-methoxyphenyl)-1-piperazineacetamide dihydrochloride

Structural Information

Molecular Formula
C25H28N3O2
SMILES
COC1=CC=CC=C1[N+]2(CCN(CC2)CC(=O)NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H27N3O2/c1-30-24-15-9-8-14-23(24)28(22-12-6-3-7-13-22)18-16-27(17-19-28)20-25(29)26-21-10-4-2-5-11-21/h2-15H,16-20H2,1H3/p+1
InChIKey
MVXSNLUXQSUPPJ-UHFFFAOYSA-O
Compound name
2-[4-(2-methoxyphenyl)-4-phenylpiperazin-4-ium-1-yl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.21814 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.22542 201.6
[M+Na]+ 425.20736 203.9
[M-H]- 401.21086 209.9
[M+NH4]+ 420.25196 209.4
[M+K]+ 441.18130 192.1
[M+H-H2O]+ 385.21540 190.7
[M+HCOO]- 447.21634 217.4
[M+CH3COO]- 461.23199 216.5
[M+Na-2H]- 423.19281 206.6
[M]+ 402.21759 195.5
[M]- 402.21869 195.5
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.