CID 17984

Acetic acid, 2,2-diphenyl-2-methoxy-, (2-(dibutylamino)ethyl) ester, hydrochloride

Structural Information

Molecular Formula
C25H35NO3
SMILES
CCCCN(CCCC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC
InChI
InChI=1S/C25H35NO3/c1-4-6-18-26(19-7-5-2)20-21-29-24(27)25(28-3,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17H,4-7,18-21H2,1-3H3
InChIKey
JFMXJSMACHYYQA-UHFFFAOYSA-N
Compound name
2-(dibutylamino)ethyl 2-methoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.2617 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.26898 203.4
[M+Na]+ 420.25092 204.6
[M-H]- 396.25442 209.3
[M+NH4]+ 415.29552 214.0
[M+K]+ 436.22486 201.7
[M+H-H2O]+ 380.25896 193.3
[M+HCOO]- 442.25990 223.7
[M+CH3COO]- 456.27555 228.7
[M+Na-2H]- 418.23637 204.7
[M]+ 397.26115 209.1
[M]- 397.26225 209.1
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.