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]+ 444.24931 207.9
[M+Na]+ 466.23125 208.9
[M-H]- 442.23475 210.8
[M+NH4]+ 461.27585 211.7
[M+K]+ 482.20519 204.9
[M+H-H2O]+ 426.23929 196.3
[M+HCOO]- 488.24023 220.2
[M+CH3COO]- 502.25588 230.3
[M+Na-2H]- 464.21670 205.4
[M]+ 443.24148 206.7
[M]- 443.24258 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.