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]+ 392.258406 200.7
[M+Na]+ 414.240348 202.2
[M-H]- 390.243854 208.6
[M+NH4]+ 409.284953 212.4
[M+K]+ 430.214288 198.3
[M+H-H2O]+ 374.248390 190.5
[M+HCOO]- 436.249331 219.1
[M+CH3COO]- 450.264981 226.0
[M+Na-2H]- 412.225796 200.8
[M]+ 391.25058142 200.6
[M]- 391.25167858 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.