CID 64857

23776-32-1

Structural Information

Molecular Formula
C23H30N2O5
SMILES
CC1=CC=CC=C1N2CCN(CC2)C(=O)CC(C3=CC(=C(C(=C3)OC)OC)OC)O
InChI
InChI=1S/C23H30N2O5/c1-16-7-5-6-8-18(16)24-9-11-25(12-10-24)22(27)15-19(26)17-13-20(28-2)23(30-4)21(14-17)29-3/h5-8,13-14,19,26H,9-12,15H2,1-4H3
InChIKey
CHQRSNOPEWWWDK-UHFFFAOYSA-N
Compound name
3-hydroxy-1-[4-(2-methylphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.21548 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.22276 201.2
[M+Na]+ 437.20470 205.1
[M-H]- 413.20820 206.1
[M+NH4]+ 432.24930 207.7
[M+K]+ 453.17864 201.9
[M+H-H2O]+ 397.21274 190.0
[M+HCOO]- 459.21368 214.3
[M+CH3COO]- 473.22933 225.5
[M+Na-2H]- 435.19015 198.1
[M]+ 414.21493 202.6
[M]- 414.21603 202.6
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.