CID 271828

Nsc115793

Structural Information

Molecular Formula
C22H30O2
SMILES
CC1=C(OC2=CC3=C(C=C12)C(=C(O3)CCC(C)C)C)CCC(C)C
InChI
InChI=1S/C22H30O2/c1-13(2)7-9-19-15(5)17-11-18-16(6)20(10-8-14(3)4)24-22(18)12-21(17)23-19/h11-14H,7-10H2,1-6H3
InChIKey
FKYMBTZSWQBPSW-UHFFFAOYSA-N
Compound name
3,5-dimethyl-2,6-bis(3-methylbutyl)furo[3,2-f][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

326.22458 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.23186 185.5
[M+Na]+ 349.21380 195.9
[M-H]- 325.21730 193.4
[M+NH4]+ 344.25840 204.0
[M+K]+ 365.18774 193.3
[M+H-H2O]+ 309.22184 180.8
[M+HCOO]- 371.22278 206.0
[M+CH3COO]- 385.23843 216.5
[M+Na-2H]- 347.19925 184.7
[M]+ 326.22403 196.5
[M]- 326.22513 196.5
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