CID 3066716

2,2-dimethyl-3-phenyl-4-(p-(2,3-epoxypropyloxy)phenyl)-7-methoxychromene

Structural Information

Molecular Formula
C27H26O4
SMILES
CC1(C(=C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCC4CO4)C5=CC=CC=C5)C
InChI
InChI=1S/C27H26O4/c1-27(2)26(19-7-5-4-6-8-19)25(23-14-13-21(28-3)15-24(23)31-27)18-9-11-20(12-10-18)29-16-22-17-30-22/h4-15,22H,16-17H2,1-3H3
InChIKey
IVLNPXSDNHOUEG-UHFFFAOYSA-N
Compound name
7-methoxy-2,2-dimethyl-4-[4-(oxiran-2-ylmethoxy)phenyl]-3-phenylchromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1831 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.19038 203.2
[M+Na]+ 437.17232 222.9
[M+NH4]+ 432.21692 214.0
[M+K]+ 453.14626 212.5
[M-H]- 413.17582 221.7
[M+Na-2H]- 435.15777 216.5
[M]+ 414.18255 213.1
[M]- 414.18365 213.1
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.