CID 18252

Acetic acid, 2,2-diphenyl-2-ethoxy-, (1-isopropyl-2-pyrrolidinyl)methyl ester, hydrochloride

Structural Information

Molecular Formula
C24H31NO3
SMILES
CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3CCCN3C(C)C
InChI
InChI=1S/C24H31NO3/c1-4-28-24(20-12-7-5-8-13-20,21-14-9-6-10-15-21)23(26)27-18-22-16-11-17-25(22)19(2)3/h5-10,12-15,19,22H,4,11,16-18H2,1-3H3
InChIKey
UBUVOKZFCAPGJD-UHFFFAOYSA-N
Compound name
(1-propan-2-ylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2304 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.23768 196.0
[M+Na]+ 404.21962 198.0
[M-H]- 380.22312 202.9
[M+NH4]+ 399.26422 207.1
[M+K]+ 420.19356 194.4
[M+H-H2O]+ 364.22766 186.3
[M+HCOO]- 426.22860 212.0
[M+CH3COO]- 440.24425 218.6
[M+Na-2H]- 402.20507 194.5
[M]+ 381.22985 196.4
[M]- 381.23095 196.4
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.