CID 383865

Nsc672646

Structural Information

Molecular Formula
C31H33NO3
SMILES
CC(C)NCC(C1=C(C(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C31H33NO3/c1-23(2)32-20-28(33)27-18-19-29(34-21-24-12-6-3-7-13-24)31(30(27)26-16-10-5-11-17-26)35-22-25-14-8-4-9-15-25/h3-19,23,28,32-33H,20-22H2,1-2H3
InChIKey
KXCJPASJVHVUTQ-UHFFFAOYSA-N
Compound name
1-[2-phenyl-3,4-bis(phenylmethoxy)phenyl]-2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.24603 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.25331 218.2
[M+Na]+ 490.23525 219.8
[M-H]- 466.23875 227.8
[M+NH4]+ 485.27985 223.6
[M+K]+ 506.20919 213.7
[M+H-H2O]+ 450.24329 205.7
[M+HCOO]- 512.24423 236.7
[M+CH3COO]- 526.25988 238.0
[M+Na-2H]- 488.22070 217.5
[M]+ 467.24548 218.7
[M]- 467.24658 218.7
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.