CID 56545

93101-48-5

Structural Information

Molecular Formula
C21H29NO3
SMILES
CC1=C(CN(CC1)C)COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H29NO3/c1-16-12-13-22(2)14-17(16)15-25-20(23)21(24,19-10-6-7-11-19)18-8-4-3-5-9-18/h3-5,8-9,19,24H,6-7,10-15H2,1-2H3
InChIKey
QGDNFGBHPJPVAY-UHFFFAOYSA-N
Compound name
(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.21475 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.22203 185.1
[M+Na]+ 366.20397 187.2
[M-H]- 342.20747 190.7
[M+NH4]+ 361.24857 197.4
[M+K]+ 382.17791 183.3
[M+H-H2O]+ 326.21201 176.5
[M+HCOO]- 388.21295 198.8
[M+CH3COO]- 402.22860 208.4
[M+Na-2H]- 364.18942 183.3
[M]+ 343.21420 180.8
[M]- 343.21530 180.8
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.