CID 3079011

Ethanol, 2-(4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2h-1-benzopyran-4-yl)phenoxy)-, trans-

Structural Information

Molecular Formula
C26H28O4
SMILES
CC1([C@@H]([C@H](C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCO)C4=CC=CC=C4)C
InChI
InChI=1S/C26H28O4/c1-26(2)25(19-7-5-4-6-8-19)24(18-9-11-20(12-10-18)29-16-15-27)22-14-13-21(28-3)17-23(22)30-26/h4-14,17,24-25,27H,15-16H2,1-3H3/t24-,25+/m0/s1
InChIKey
GECRWJNOOJRECV-LOSJGSFVSA-N
Compound name
2-[4-[(3S,4S)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl]phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.19876 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20604 201.3
[M+Na]+ 427.18798 208.1
[M-H]- 403.19148 210.9
[M+NH4]+ 422.23258 212.8
[M+K]+ 443.16192 204.2
[M+H-H2O]+ 387.19602 190.7
[M+HCOO]- 449.19696 217.7
[M+CH3COO]- 463.21261 210.5
[M+Na-2H]- 425.17343 203.9
[M]+ 404.19821 204.1
[M]- 404.19931 204.1
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.