CID 3079013

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

Structural Information

Molecular Formula
C27H28O3
SMILES
CC1([C@@H]([C@H](C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCC=C)C4=CC=CC=C4)C
InChI
InChI=1S/C27H28O3/c1-5-17-29-21-13-11-19(12-14-21)25-23-16-15-22(28-4)18-24(23)30-27(2,3)26(25)20-9-7-6-8-10-20/h5-16,18,25-26H,1,17H2,2-4H3/t25-,26+/m0/s1
InChIKey
IDDRFDFLMSNJBD-IZZNHLLZSA-N
Compound name
(3S,4S)-7-methoxy-2,2-dimethyl-3-phenyl-4-(4-prop-2-enoxyphenyl)-3,4-dihydrochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.20386 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.21114 199.9
[M+Na]+ 423.19308 217.3
[M+NH4]+ 418.23768 210.1
[M+K]+ 439.16702 204.9
[M-H]- 399.19658 209.2
[M+Na-2H]- 421.17853 210.3
[M]+ 400.20331 205.6
[M]- 400.20441 205.6
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.