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

7
Patents

358.18927 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.196546 187.6
[M+Na]+ 381.178488 193.3
[M-H]- 357.181994 192.8
[M+NH4]+ 376.223093 196.6
[M+K]+ 397.152428 189.3
[M+H-H2O]+ 341.186530 176.5
[M+HCOO]- 403.187471 203.2
[M+CH3COO]- 417.203121 214.0
[M+Na-2H]- 379.163936 187.9
[M]+ 358.18872142 188.4
[M]- 358.18981858 188.4
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