CID 10894863

Schembl686052

Structural Information

Molecular Formula
C26H34O4
SMILES
CCC1(COC1)COCC2=CC=C(C=C2)C3=CC=C(C=C3)COCC4(COC4)CC
InChI
InChI=1S/C26H34O4/c1-3-25(17-29-18-25)15-27-13-21-5-9-23(10-6-21)24-11-7-22(8-12-24)14-28-16-26(4-2)19-30-20-26/h5-12H,3-4,13-20H2,1-2H3
InChIKey
DCOXQQBTTNZJBI-UHFFFAOYSA-N
Compound name
3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]phenyl]methoxymethyl]oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

996
Patents

410.2457 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.25298 184.7
[M+Na]+ 433.23492 186.6
[M-H]- 409.23842 195.9
[M+NH4]+ 428.27952 183.7
[M+K]+ 449.20886 191.3
[M+H-H2O]+ 393.24296 167.7
[M+HCOO]- 455.24390 199.6
[M+CH3COO]- 469.25955 231.0
[M+Na-2H]- 431.22037 188.0
[M]+ 410.24515 205.5
[M]- 410.24625 205.5
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

patents stripe