CID 3062141

Phenol, 4-(4-((3,4,5-trimethoxyphenyl)methyl)-1-piperazinyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H26N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=CC=C(C=C3)O
InChI
InChI=1S/C20H26N2O4/c1-24-18-12-15(13-19(25-2)20(18)26-3)14-21-8-10-22(11-9-21)16-4-6-17(23)7-5-16/h4-7,12-13,23H,8-11,14H2,1-3H3
InChIKey
IVWQZGCNXYXVRN-UHFFFAOYSA-N
Compound name
4-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

358.18927 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19655 188.2
[M+Na]+ 381.17849 202.1
[M+NH4]+ 376.22309 194.5
[M+K]+ 397.15243 194.9
[M-H]- 357.18199 192.6
[M+Na-2H]- 379.16394 195.3
[M]+ 358.18872 191.4
[M]- 358.18982 191.4
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

patents stripe