CID 5945639

Alpha,alpha'-diethyl-4,4'-bis(2-propynyloxy)stilbene

Structural Information

Molecular Formula
C24H24O2
SMILES
CC/C(=C(/CC)\C1=CC=C(C=C1)OCC#C)/C2=CC=C(C=C2)OCC#C
InChI
InChI=1S/C24H24O2/c1-5-17-25-21-13-9-19(10-14-21)23(7-3)24(8-4)20-11-15-22(16-12-20)26-18-6-2/h1-2,9-16H,7-8,17-18H2,3-4H3/b24-23+
InChIKey
LCTYVHULSYWGNJ-WCWDXBQESA-N
Compound name
1-prop-2-ynoxy-4-[(E)-4-(4-prop-2-ynoxyphenyl)hex-3-en-3-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.17764 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18492 189.8
[M+Na]+ 367.16686 198.9
[M-H]- 343.17036 192.2
[M+NH4]+ 362.21146 198.0
[M+K]+ 383.14080 190.0
[M+H-H2O]+ 327.17490 173.9
[M+HCOO]- 389.17584 196.9
[M+CH3COO]- 403.19149 229.8
[M+Na-2H]- 365.15231 186.3
[M]+ 344.17709 182.6
[M]- 344.17819 182.6
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.