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 187.6
[M+Na]+ 381.17849 193.3
[M-H]- 357.18199 192.8
[M+NH4]+ 376.22309 196.6
[M+K]+ 397.15243 189.3
[M+H-H2O]+ 341.18653 176.5
[M+HCOO]- 403.18747 203.2
[M+CH3COO]- 417.20312 214.0
[M+Na-2H]- 379.16394 187.9
[M]+ 358.18872 188.4
[M]- 358.18982 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