CID 3053657

Brn 0468648

Structural Information

Molecular Formula
C39H36N2O4
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CC(=O)NCCC4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI
InChI=1S/C39H36N2O4/c42-39(23-33-25-41-36-18-17-34(24-35(33)36)43-26-30-10-4-1-5-11-30)40-21-20-29-16-19-37(44-27-31-12-6-2-7-13-31)38(22-29)45-28-32-14-8-3-9-15-32/h1-19,22,24-25,41H,20-21,23,26-28H2,(H,40,42)
InChIKey
PREWSCGNFRVREX-UHFFFAOYSA-N
Compound name
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.2675 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.27478 245.9
[M+Na]+ 619.25672 247.6
[M-H]- 595.26022 257.9
[M+NH4]+ 614.30132 246.5
[M+K]+ 635.23066 239.4
[M+H-H2O]+ 579.26476 231.0
[M+HCOO]- 641.26570 263.8
[M+CH3COO]- 655.28135 250.0
[M+Na-2H]- 617.24217 245.1
[M]+ 596.26695 248.3
[M]- 596.26805 248.3
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.