CID 1377353

Piperazine, 1-(2-methylphenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H28N2O3/c1-16-7-5-6-8-18(16)23-11-9-22(10-12-23)15-17-13-19(24-2)21(26-4)20(14-17)25-3/h5-8,13-14H,9-12,15H2,1-4H3
InChIKey
MWNCHGVMCXDYED-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
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

literature stripe

Patent stripe

patents stripe