CID 191317

Proxibutene

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(=C)CN(C)C
InChI
InChI=1S/C22H27NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15H,2,5,16-17H2,1,3-4H3
InChIKey
QNYRJYLGBCLNFA-UHFFFAOYSA-N
Compound name
[3-[(dimethylamino)methyl]-1,2-diphenylbut-3-en-2-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

337.2042 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 184.7
[M+Na]+ 360.19342 187.5
[M-H]- 336.19692 191.4
[M+NH4]+ 355.23802 197.9
[M+K]+ 376.16736 184.5
[M+H-H2O]+ 320.20146 175.9
[M+HCOO]- 382.20240 205.1
[M+CH3COO]- 396.21805 218.0
[M+Na-2H]- 358.17887 186.5
[M]+ 337.20365 186.8
[M]- 337.20475 186.8
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.