CID 3067883

Brn 5296185

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]+ 381.24242 195.9
[M+Na]+ 403.22436 200.7
[M-H]- 379.22786 205.8
[M+NH4]+ 398.26896 209.0
[M+K]+ 419.19830 197.4
[M+H-H2O]+ 363.23240 185.5
[M+HCOO]- 425.23334 209.7
[M+CH3COO]- 439.24899 204.8
[M+Na-2H]- 401.20981 196.3
[M]+ 380.23459 194.4
[M]- 380.23569 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.