CID 59871

104655-19-8

Structural Information

Molecular Formula
C28H33N3O3
SMILES
CC(=O)N(C1=CC=CC=C1)C2=CC=C(C=C2)OCCCN3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C28H33N3O3/c1-23(32)31(24-9-4-3-5-10-24)25-13-15-26(16-14-25)34-22-8-17-29-18-20-30(21-19-29)27-11-6-7-12-28(27)33-2/h3-7,9-16H,8,17-22H2,1-2H3
InChIKey
PCIMGHGWXTXBAF-UHFFFAOYSA-N
Compound name
N-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.2522 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.25948 215.6
[M+Na]+ 482.24142 229.5
[M+NH4]+ 477.28602 221.9
[M+K]+ 498.21536 220.6
[M-H]- 458.24492 223.4
[M+Na-2H]- 480.22687 225.7
[M]+ 459.25165 219.8
[M]- 459.25275 219.8
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.