CID 3067883

Chroman, hexahydro-2,4-bis(p-methoxyphenyl)-7,7-dimethyl-

Structural Information

Molecular Formula
C25H32O3
SMILES
CC1(CCC2C(CC(OC2C1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C25H32O3/c1-25(2)14-13-21-22(17-5-9-19(26-3)10-6-17)15-23(28-24(21)16-25)18-7-11-20(27-4)12-8-18/h5-12,21-24H,13-16H2,1-4H3
InChIKey
GPMYMZGCRYPDSN-UHFFFAOYSA-N
Compound name
2,4-bis(4-methoxyphenyl)-7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydrochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.23514 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.242416 195.9
[M+Na]+ 403.224358 200.7
[M-H]- 379.227864 205.8
[M+NH4]+ 398.268963 209.0
[M+K]+ 419.198298 197.4
[M+H-H2O]+ 363.232400 185.5
[M+HCOO]- 425.233341 209.7
[M+CH3COO]- 439.248991 204.8
[M+Na-2H]- 401.209806 196.3
[M]+ 380.23459142 194.4
[M]- 380.23568858 194.4
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.