CID 3079007

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

Structural Information

Molecular Formula
C26H26O4
SMILES
CC1(C(=C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCCO)C4=CC=CC=C4)C
InChI
InChI=1S/C26H26O4/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/h4-14,17,27H,15-16H2,1-3H3
InChIKey
MABKBYVHTXAUDN-UHFFFAOYSA-N
Compound name
2-[4-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1831 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.19038 200.7
[M+Na]+ 425.17232 208.5
[M-H]- 401.17582 210.8
[M+NH4]+ 420.21692 212.4
[M+K]+ 441.14626 204.5
[M+H-H2O]+ 385.18036 190.0
[M+HCOO]- 447.18130 218.6
[M+CH3COO]- 461.19695 210.5
[M+Na-2H]- 423.15777 204.2
[M]+ 402.18255 204.9
[M]- 402.18365 204.9
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.