CID 3718366

2-me-1-(3-me-ph)-4-(2-(3,4,5-trimethoxyphenyl)ethyl)piperazin-4-ium chloride

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CC1CN(CCN1C2=CC=CC(=C2)C)CCC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H32N2O3/c1-17-7-6-8-20(13-17)25-12-11-24(16-18(25)2)10-9-19-14-21(26-3)23(28-5)22(15-19)27-4/h6-8,13-15,18H,9-12,16H2,1-5H3
InChIKey
UGNDODWSHUWAMN-UHFFFAOYSA-N
Compound name
2-methyl-1-(3-methylphenyl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2413 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 198.1
[M+Na]+ 407.23052 204.0
[M-H]- 383.23402 204.4
[M+NH4]+ 402.27512 207.1
[M+K]+ 423.20446 199.5
[M+H-H2O]+ 367.23856 186.5
[M+HCOO]- 429.23950 214.0
[M+CH3COO]- 443.25515 224.2
[M+Na-2H]- 405.21597 196.3
[M]+ 384.24075 200.7
[M]- 384.24185 200.7
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

No patent data available for this compound.