CID 18244

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2304 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.237676 196.4
[M+Na]+ 404.219618 198.7
[M-H]- 380.223124 203.2
[M+NH4]+ 399.264223 207.6
[M+K]+ 420.193558 194.6
[M+H-H2O]+ 364.227660 186.5
[M+HCOO]- 426.228601 213.4
[M+CH3COO]- 440.244251 217.7
[M+Na-2H]- 402.205066 195.9
[M]+ 381.22985142 197.3
[M]- 381.23094858 197.3
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.