CID 33999

Brn 2710153

Structural Information

Molecular Formula
C26H29NO3
SMILES
CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(C)CC3=CC=CC=C3
InChI
InChI=1S/C26H29NO3/c1-3-30-26(23-15-9-5-10-16-23,24-17-11-6-12-18-24)25(28)29-20-19-27(2)21-22-13-7-4-8-14-22/h4-18H,3,19-21H2,1-2H3
InChIKey
PCRQJXIGMVKWJW-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]ethyl 2-ethoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.21475 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.222026 201.4
[M+Na]+ 426.203968 203.2
[M-H]- 402.207474 210.6
[M+NH4]+ 421.248573 211.0
[M+K]+ 442.177908 199.7
[M+H-H2O]+ 386.212010 190.3
[M+HCOO]- 448.212951 222.4
[M+CH3COO]- 462.228601 227.6
[M+Na-2H]- 424.189416 204.7
[M]+ 403.21420142 204.4
[M]- 403.21529858 204.4
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.