CID 17920

2,2-diphenyl-2-ethoxyacetic acid 3-(dimethylamino)butyl ester hydrochloride

Structural Information

Molecular Formula
C22H29NO3
SMILES
CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCC(C)N(C)C
InChI
InChI=1S/C22H29NO3/c1-5-26-22(19-12-8-6-9-13-19,20-14-10-7-11-15-20)21(24)25-17-16-18(2)23(3)4/h6-15,18H,5,16-17H2,1-4H3
InChIKey
XWLVEFFRPBSRQK-UHFFFAOYSA-N
Compound name
3-(dimethylamino)butyl 2-ethoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22203 189.3
[M+Na]+ 378.20397 191.6
[M-H]- 354.20747 196.0
[M+NH4]+ 373.24857 201.7
[M+K]+ 394.17791 190.0
[M+H-H2O]+ 338.21201 180.1
[M+HCOO]- 400.21295 209.7
[M+CH3COO]- 414.22860 220.8
[M+Na-2H]- 376.18942 191.2
[M]+ 355.21420 193.5
[M]- 355.21530 193.5
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.