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 214.8
[M+Na]+ 482.24142 215.8
[M-H]- 458.24492 223.8
[M+NH4]+ 477.28602 218.9
[M+K]+ 498.21536 211.0
[M+H-H2O]+ 442.24946 200.3
[M+HCOO]- 504.25040 230.6
[M+CH3COO]- 518.26605 238.9
[M+Na-2H]- 480.22687 214.0
[M]+ 459.25165 213.8
[M]- 459.25275 213.8
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.