CID 129903835

(1s,2s)-1-(3,5-dimethoxyphenyl)-5-methoxy-7-[(e)-2-(4-methoxycyclohexa-1,3-dien-1-yl)vinyl]-2-(4-methoxyphenyl)indane

Structural Information

Molecular Formula
C34H36O5
SMILES
COC1=CC=C(CC1)/C=C/C2=CC(=CC3=C2[C@@H]([C@H](C3)C4=CC=C(C=C4)OC)C5=CC(=CC(=C5)OC)OC)OC
InChI
InChI=1S/C34H36O5/c1-35-27-12-7-22(8-13-27)6-9-24-16-29(37-3)19-26-20-32(23-10-14-28(36-2)15-11-23)34(33(24)26)25-17-30(38-4)21-31(18-25)39-5/h6-7,9-12,14-19,21,32,34H,8,13,20H2,1-5H3/b9-6+/t32-,34-/m1/s1
InChIKey
BIUDUFPNKUBJNU-VAPDAAKASA-N
Compound name
(1S,2S)-1-(3,5-dimethoxyphenyl)-5-methoxy-7-[(E)-2-(4-methoxycyclohexa-1,3-dien-1-yl)ethenyl]-2-(4-methoxyphenyl)-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.2563 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.26358 234.5
[M+Na]+ 547.24552 240.0
[M-H]- 523.24902 247.6
[M+NH4]+ 542.29012 242.6
[M+K]+ 563.21946 234.5
[M+H-H2O]+ 507.25356 222.5
[M+HCOO]- 569.25450 252.4
[M+CH3COO]- 583.27015 249.5
[M+Na-2H]- 545.23097 228.8
[M]+ 524.25575 240.2
[M]- 524.25685 240.2
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.