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]+ 415.29955 207.7
[M+Na]+ 437.28149 212.3
[M-H]- 413.28499 214.1
[M+NH4]+ 432.32609 215.8
[M+K]+ 453.25543 200.2
[M+H-H2O]+ 397.28953 191.1
[M+HCOO]- 459.29047 215.8
[M+CH3COO]- 473.30612 212.4
[M+Na-2H]- 435.26694 202.2
[M]+ 414.29172 195.2
[M]- 414.29282 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

No patent data available for this compound.