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]+ 382.23768 196.4
[M+Na]+ 404.21962 198.7
[M-H]- 380.22312 203.2
[M+NH4]+ 399.26422 207.6
[M+K]+ 420.19356 194.6
[M+H-H2O]+ 364.22766 186.5
[M+HCOO]- 426.22860 213.4
[M+CH3COO]- 440.24425 217.7
[M+Na-2H]- 402.20507 195.9
[M]+ 381.22985 197.3
[M]- 381.23095 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.