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 199.4
[M+Na]+ 437.17232 208.9
[M-H]- 413.17582 214.3
[M+NH4]+ 432.21692 205.3
[M+K]+ 453.14626 207.7
[M+H-H2O]+ 397.18036 188.8
[M+HCOO]- 459.18130 217.5
[M+CH3COO]- 473.19695 209.6
[M+Na-2H]- 435.15777 203.5
[M]+ 414.18255 207.1
[M]- 414.18365 207.1
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.