CID 3055345

72284-41-4

Structural Information

Molecular Formula
C24H31NO3
SMILES
C1CN(CCC1C(=O)O)CCCCOC2=CC=CC=C2CCC3=CC=CC=C3
InChI
InChI=1S/C24H31NO3/c26-24(27)22-14-17-25(18-15-22)16-6-7-19-28-23-11-5-4-10-21(23)13-12-20-8-2-1-3-9-20/h1-5,8-11,22H,6-7,12-19H2,(H,26,27)
InChIKey
RKZIPMSYEREZRR-UHFFFAOYSA-N
Compound name
1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

381.2304 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.23768 195.7
[M+Na]+ 404.21962 197.0
[M-H]- 380.22312 200.4
[M+NH4]+ 399.26422 204.1
[M+K]+ 420.19356 191.4
[M+H-H2O]+ 364.22766 184.6
[M+HCOO]- 426.22860 210.4
[M+CH3COO]- 440.24425 217.3
[M+Na-2H]- 402.20507 194.8
[M]+ 381.22985 193.3
[M]- 381.23095 193.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe