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]+ 404.22203 201.4
[M+Na]+ 426.20397 203.2
[M-H]- 402.20747 210.6
[M+NH4]+ 421.24857 211.0
[M+K]+ 442.17791 199.7
[M+H-H2O]+ 386.21201 190.3
[M+HCOO]- 448.21295 222.4
[M+CH3COO]- 462.22860 227.6
[M+Na-2H]- 424.18942 204.7
[M]+ 403.21420 204.4
[M]- 403.21530 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.