CID 24837516

Brn 5102166

Structural Information

Molecular Formula
C22H34O4
SMILES
CCOCCCC(C)C1=CC(=C2C3CC(CCC3C(OC2=C1)(C)C)O)O
InChI
InChI=1S/C22H34O4/c1-5-25-10-6-7-14(2)15-11-19(24)21-17-13-16(23)8-9-18(17)22(3,4)26-20(21)12-15/h11-12,14,16-18,23-24H,5-10,13H2,1-4H3
InChIKey
NHEJMAMIIXOJDW-UHFFFAOYSA-N
Compound name
3-(5-ethoxypentan-2-yl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2457 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.252976 190.7
[M+Na]+ 385.234918 195.3
[M-H]- 361.238424 192.7
[M+NH4]+ 380.279523 205.2
[M+K]+ 401.208858 192.3
[M+H-H2O]+ 345.242960 184.0
[M+HCOO]- 407.243901 200.1
[M+CH3COO]- 421.259551 216.9
[M+Na-2H]- 383.220366 190.9
[M]+ 362.24515142 191.3
[M]- 362.24624858 191.3
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.