CID 23391101

2op2bchpa

Structural Information

Molecular Formula
C30H38O
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)OCC
InChI
InChI=1S/C30H38O/c1-3-23-7-13-26(14-8-23)28-17-19-29(20-18-28)27-15-9-24(10-16-27)5-6-25-11-21-30(22-12-25)31-4-2/h9-12,15-16,21-23,26,28-29H,3-4,7-8,13-14,17-20H2,1-2H3
InChIKey
YKFQWLCXRXTDMG-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

414.29227 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.299546 207.7
[M+Na]+ 437.281488 212.3
[M-H]- 413.284994 214.1
[M+NH4]+ 432.326093 215.8
[M+K]+ 453.255428 200.2
[M+H-H2O]+ 397.289530 191.1
[M+HCOO]- 459.290471 215.8
[M+CH3COO]- 473.306121 212.4
[M+Na-2H]- 435.266936 202.2
[M]+ 414.29172142 195.2
[M]- 414.29281858 195.2
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

patents stripe