CID 17970

2-butoxy-2,2-diphenylacetic acid (1-methyl-3-piperidyl) ester hydrochloride

Structural Information

Molecular Formula
C24H31NO3
SMILES
CCCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCCN(C3)C
InChI
InChI=1S/C24H31NO3/c1-3-4-18-27-24(20-12-7-5-8-13-20,21-14-9-6-10-15-21)23(26)28-22-16-11-17-25(2)19-22/h5-10,12-15,22H,3-4,11,16-19H2,1-2H3
InChIKey
MQYCDVVWILMXKT-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-3-yl) 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 195.8
[M+Na]+ 404.21962 197.1
[M-H]- 380.22312 201.9
[M+NH4]+ 399.26422 204.8
[M+K]+ 420.19356 193.0
[M+H-H2O]+ 364.22766 184.9
[M+HCOO]- 426.22860 210.4
[M+CH3COO]- 440.24425 218.4
[M+Na-2H]- 402.20507 196.9
[M]+ 381.22985 194.3
[M]- 381.23095 194.3
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.