CID 3049535

64966-23-0

Structural Information

Molecular Formula
C22H30N2O4
SMILES
COC1=C(C(=C(C=C1)CN2CCN(CC2)CC(C3=CC=CC=C3)O)OC)OC
InChI
InChI=1S/C22H30N2O4/c1-26-20-10-9-18(21(27-2)22(20)28-3)15-23-11-13-24(14-12-23)16-19(25)17-7-5-4-6-8-17/h4-10,19,25H,11-16H2,1-3H3
InChIKey
UAHXEYZGMUOZSD-UHFFFAOYSA-N
Compound name
1-phenyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.22055 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.22783 195.6
[M+Na]+ 409.20977 199.1
[M-H]- 385.21327 200.0
[M+NH4]+ 404.25437 203.0
[M+K]+ 425.18371 195.2
[M+H-H2O]+ 369.21781 184.1
[M+HCOO]- 431.21875 209.6
[M+CH3COO]- 445.23440 219.5
[M+Na-2H]- 407.19522 194.5
[M]+ 386.22000 196.0
[M]- 386.22110 196.0
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.