CID 13591218

Cor 2831

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CC1=CC(=C(C=C1O)C(C)C)OCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C23H32N2O3/c1-17(2)19-16-21(26)18(3)15-23(19)28-14-13-24-9-11-25(12-10-24)20-7-5-6-8-22(20)27-4/h5-8,15-17,26H,9-14H2,1-4H3
InChIKey
YMZXNNDLJCUPKG-UHFFFAOYSA-N
Compound name
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

384.2413 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 197.9
[M+Na]+ 407.23052 211.3
[M+NH4]+ 402.27512 204.2
[M+K]+ 423.20446 203.7
[M-H]- 383.23402 202.5
[M+Na-2H]- 405.21597 204.3
[M]+ 384.24075 201.1
[M]- 384.24185 201.1
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.