CID 18005

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

Structural Information

Molecular Formula
C24H33NO3
SMILES
CCCCCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC
InChI
InChI=1S/C24H33NO3/c1-4-6-13-18-25(5-2)19-20-28-23(26)24(27-3,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17H,4-6,13,18-20H2,1-3H3
InChIKey
IAWXBUURYLVBDG-UHFFFAOYSA-N
Compound name
2-[ethyl(pentyl)amino]ethyl 2-methoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.24603 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.25331 198.9
[M+Na]+ 406.23525 200.5
[M-H]- 382.23875 204.9
[M+NH4]+ 401.27985 210.1
[M+K]+ 422.20919 197.8
[M+H-H2O]+ 366.24329 189.0
[M+HCOO]- 428.24423 219.5
[M+CH3COO]- 442.25988 225.8
[M+Na-2H]- 404.22070 200.7
[M]+ 383.24548 204.2
[M]- 383.24658 204.2
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.