CID 90471315

2732-19-6

Structural Information

Molecular Formula
C25H28O3
SMILES
CC[C@@H](CC(C1=CC=CC=C1OC)(C2=CC=CC=C2OC)O)C3=CC=CC=C3
InChI
InChI=1S/C25H28O3/c1-4-19(20-12-6-5-7-13-20)18-25(26,21-14-8-10-16-23(21)27-2)22-15-9-11-17-24(22)28-3/h5-17,19,26H,4,18H2,1-3H3/t19-/m0/s1
InChIKey
AEVSHPBGQSPJIE-IBGZPJMESA-N
Compound name
(3S)-1,1-bis(2-methoxyphenyl)-3-phenylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.20386 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.211136 194.2
[M+Na]+ 399.193078 198.3
[M-H]- 375.196584 201.7
[M+NH4]+ 394.237683 204.7
[M+K]+ 415.167018 193.6
[M+H-H2O]+ 359.201120 184.5
[M+HCOO]- 421.202061 212.4
[M+CH3COO]- 435.217711 217.9
[M+Na-2H]- 397.178526 196.5
[M]+ 376.20331142 196.2
[M]- 376.20440858 196.2
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.