CID 3073545

149848-14-6

Structural Information

Molecular Formula
C38H42N2O4
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)OC(=O)CC3=CC=CC=C3)CCC(C4=CC=CC=C4)OC(=O)CC5=CC=CC=C5
InChI
InChI=1S/C38H42N2O4/c41-37(29-31-13-5-1-6-14-31)43-35(33-17-9-3-10-18-33)21-23-39-25-27-40(28-26-39)24-22-36(34-19-11-4-12-20-34)44-38(42)30-32-15-7-2-8-16-32/h1-20,35-36H,21-30H2
InChIKey
GOWHKDSWQIDOCA-UHFFFAOYSA-N
Compound name
[1-phenyl-3-[4-[3-phenyl-3-(2-phenylacetyl)oxypropyl]piperazin-1-yl]propyl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.31445 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.32173 246.1
[M+Na]+ 613.30367 241.3
[M-H]- 589.30717 254.1
[M+NH4]+ 608.34827 242.3
[M+K]+ 629.27761 235.0
[M+H-H2O]+ 573.31171 229.4
[M+HCOO]- 635.31265 254.9
[M+CH3COO]- 649.32830 255.5
[M+Na-2H]- 611.28912 241.0
[M]+ 590.31390 242.3
[M]- 590.31500 242.3
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.