CID 6434805

Crotonic acid, 4,4-diphenyl-, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCN(CC)CCOC(=O)/C=C/C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C22H27NO2/c1-3-23(4-2)17-18-25-22(24)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,21H,3-4,17-18H2,1-2H3/b16-15+
InChIKey
RNPRXNJSEHSFHC-FOCLMDBBSA-N
Compound name
2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.211476 186.5
[M+Na]+ 360.193418 188.8
[M-H]- 336.196924 192.8
[M+NH4]+ 355.238023 199.5
[M+K]+ 376.167358 185.2
[M+H-H2O]+ 320.201460 176.9
[M+HCOO]- 382.202401 208.4
[M+CH3COO]- 396.218051 216.9
[M+Na-2H]- 358.178866 187.2
[M]+ 337.20365142 188.8
[M]- 337.20474858 188.8
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.