CID 133028

157173-60-9

Structural Information

Molecular Formula
C29H31NO3
SMILES
COC1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2C4=CC=C(C=C4)OCCN5CCCCC5
InChI
InChI=1S/C29H31NO3/c1-31-25-13-9-22(10-14-25)27-21-24-7-3-4-8-28(24)33-29(27)23-11-15-26(16-12-23)32-20-19-30-17-5-2-6-18-30/h3-4,7-16,21,29H,2,5-6,17-20H2,1H3
InChIKey
CLSQFRZGLVXJHC-UHFFFAOYSA-N
Compound name
1-[2-[4-[3-(4-methoxyphenyl)-2H-chromen-2-yl]phenoxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

441.2304 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.23768 211.5
[M+Na]+ 464.21962 214.3
[M-H]- 440.22312 221.9
[M+NH4]+ 459.26422 217.2
[M+K]+ 480.19356 209.0
[M+H-H2O]+ 424.22766 197.5
[M+HCOO]- 486.22860 224.8
[M+CH3COO]- 500.24425 218.0
[M+Na-2H]- 462.20507 212.2
[M]+ 441.22985 209.1
[M]- 441.23095 209.1
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