CID 47007

64050-39-1

Structural Information

Molecular Formula
C24H31NO3
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3
InChI
InChI=1S/C24H31NO3/c1-20-8-5-6-16-25(20)17-7-18-28-24(26)22-11-13-23(14-12-22)27-19-15-21-9-3-2-4-10-21/h2-4,9-14,20H,5-8,15-19H2,1H3
InChIKey
QNLGJZLZHRDTBP-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-(2-phenylethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2304 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.237676 196.2
[M+Na]+ 404.219618 198.0
[M-H]- 380.223124 202.2
[M+NH4]+ 399.264223 205.4
[M+K]+ 420.193558 193.3
[M+H-H2O]+ 364.227660 184.7
[M+HCOO]- 426.228601 212.4
[M+CH3COO]- 440.244251 219.1
[M+Na-2H]- 402.205066 195.6
[M]+ 381.22985142 195.5
[M]- 381.23094858 195.5
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.