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]+ 382.23768 196.2
[M+Na]+ 404.21962 198.0
[M-H]- 380.22312 202.2
[M+NH4]+ 399.26422 205.4
[M+K]+ 420.19356 193.3
[M+H-H2O]+ 364.22766 184.7
[M+HCOO]- 426.22860 212.4
[M+CH3COO]- 440.24425 219.1
[M+Na-2H]- 402.20507 195.6
[M]+ 381.22985 195.5
[M]- 381.23095 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.