CID 17999

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

Structural Information

Molecular Formula
C23H31NO3
SMILES
CCN(CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC)CC(C)C
InChI
InChI=1S/C23H31NO3/c1-5-24(18-19(2)3)16-17-27-22(25)23(26-4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,5,16-18H2,1-4H3
InChIKey
GEINVEUSMWNAPS-UHFFFAOYSA-N
Compound name
2-[ethyl(2-methylpropyl)amino]ethyl 2-methoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.2304 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.23768 192.6
[M+Na]+ 392.21962 203.2
[M+NH4]+ 387.26422 199.0
[M+K]+ 408.19356 196.7
[M-H]- 368.22312 196.2
[M+Na-2H]- 390.20507 199.8
[M]+ 369.22985 195.1
[M]- 369.23095 195.1
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.