CID 44148960

77542-06-4

Structural Information

Molecular Formula
C26H33NO2
SMILES
CC[C@@H](C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)[C@]3(CC=CC=C3)O
InChI
InChI=1S/C26H33NO2/c1-4-24(26(28)17-9-6-10-18-26)25(21-11-7-5-8-12-21)22-13-15-23(16-14-22)29-20-19-27(2)3/h5-17,24-25,28H,4,18-20H2,1-3H3/t24-,25?,26-/m0/s1
InChIKey
MAIKPNGTWQWQLL-ZURQMKNRSA-N
Compound name
(1R)-1-[(2S)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbutan-2-yl]cyclohexa-2,4-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.25113 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.25841 200.7
[M+Na]+ 414.24035 202.2
[M-H]- 390.24385 208.6
[M+NH4]+ 409.28495 212.4
[M+K]+ 430.21429 198.3
[M+H-H2O]+ 374.24839 190.5
[M+HCOO]- 436.24933 219.1
[M+CH3COO]- 450.26498 226.0
[M+Na-2H]- 412.22580 200.8
[M]+ 391.25058 200.6
[M]- 391.25168 200.6
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.