CID 3062147

Piperazine, 1-(3-methylphenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H28N2O3/c1-16-6-5-7-18(12-16)23-10-8-22(9-11-23)15-17-13-19(24-2)21(26-4)20(14-17)25-3/h5-7,12-14H,8-11,15H2,1-4H3
InChIKey
IKWIHGDLBMWYDK-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

356.21 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 189.0
[M+Na]+ 379.19922 194.9
[M-H]- 355.20272 195.4
[M+NH4]+ 374.24382 199.0
[M+K]+ 395.17316 190.8
[M+H-H2O]+ 339.20726 177.6
[M+HCOO]- 401.20820 205.7
[M+CH3COO]- 415.22385 217.1
[M+Na-2H]- 377.18467 189.0
[M]+ 356.20945 190.5
[M]- 356.21055 190.5
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