CID 91810629

Cvt-2551

Structural Information

Molecular Formula
C24H33N3O5
SMILES
CC1=C(C(=CC=C1)CO)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O
InChI
InChI=1S/C24H33N3O5/c1-18-6-5-7-19(16-28)24(18)25-23(30)15-27-12-10-26(11-13-27)14-20(29)17-32-22-9-4-3-8-21(22)31-2/h3-9,20,28-29H,10-17H2,1-2H3,(H,25,30)
InChIKey
OMMZXYCXHPSQGB-UHFFFAOYSA-N
Compound name
2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-N-[2-(hydroxymethyl)-6-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

443.24203 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.249306 207.9
[M+Na]+ 466.231248 208.9
[M-H]- 442.234754 210.8
[M+NH4]+ 461.275853 211.7
[M+K]+ 482.205188 204.9
[M+H-H2O]+ 426.239290 196.3
[M+HCOO]- 488.240231 220.2
[M+CH3COO]- 502.255881 230.3
[M+Na-2H]- 464.216696 205.4
[M]+ 443.24148142 206.7
[M]- 443.24257858 206.7
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

No patent data available for this compound.