CID 18455

Acetic acid, 2,2-diphenyl-2-(2-methylbutoxy)-, 2-(dimethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C23H31NO3
SMILES
CCC(C)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(C)C
InChI
InChI=1S/C23H31NO3/c1-5-19(2)18-27-23(20-12-8-6-9-13-20,21-14-10-7-11-15-21)22(25)26-17-16-24(3)4/h6-15,19H,5,16-18H2,1-4H3
InChIKey
IFJKEJNTBAYHBV-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(2-methylbutoxy)-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 194.0
[M+Na]+ 392.21962 195.8
[M-H]- 368.22312 200.4
[M+NH4]+ 387.26422 205.7
[M+K]+ 408.19356 193.9
[M+H-H2O]+ 352.22766 184.6
[M+HCOO]- 414.22860 214.0
[M+CH3COO]- 428.24425 223.7
[M+Na-2H]- 390.20507 195.3
[M]+ 369.22985 198.4
[M]- 369.23095 198.4
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.