CID 6435102

69928-42-3

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCN(CC)CCOC(=O)/C=C/CC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C22H27NO2/c1-3-23(4-2)17-18-25-22(24)12-8-9-19-13-15-21(16-14-19)20-10-6-5-7-11-20/h5-8,10-16H,3-4,9,17-18H2,1-2H3/b12-8+
InChIKey
UQZCNWOBQSKKMX-XYOKQWHBSA-N
Compound name
2-(diethylamino)ethyl (E)-4-(4-phenylphenyl)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.211476 185.9
[M+Na]+ 360.193418 189.4
[M-H]- 336.196924 192.5
[M+NH4]+ 355.238023 199.3
[M+K]+ 376.167358 185.4
[M+H-H2O]+ 320.201460 176.4
[M+HCOO]- 382.202401 208.8
[M+CH3COO]- 396.218051 217.3
[M+Na-2H]- 358.178866 187.1
[M]+ 337.20365142 189.2
[M]- 337.20474858 189.2
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.