CID 21591

Acrylic acid, 3,3-diphenyl-, 2-diethylaminoethyl ester

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCN(CC)CCOC(=O)C=C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H25NO2/c1-3-22(4-2)15-16-24-21(23)17-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17H,3-4,15-16H2,1-2H3
InChIKey
XIROWYXRKYJPMU-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3,3-diphenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 181.8
[M+Na]+ 346.17776 184.6
[M-H]- 322.18126 188.4
[M+NH4]+ 341.22236 195.4
[M+K]+ 362.15170 181.3
[M+H-H2O]+ 306.18580 172.5
[M+HCOO]- 368.18674 204.1
[M+CH3COO]- 382.20239 214.0
[M+Na-2H]- 344.16321 183.1
[M]+ 323.18799 183.8
[M]- 323.18909 183.8
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

patents stripe