CID 3727615

1-(2-methylphenyl)-4-(3-(3,4,5-trimethoxyphenyl)propyl)piperazin-4-ium chloride

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCCC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H32N2O3/c1-18-8-5-6-10-20(18)25-14-12-24(13-15-25)11-7-9-19-16-21(26-2)23(28-4)22(17-19)27-3/h5-6,8,10,16-17H,7,9,11-15H2,1-4H3
InChIKey
IPIZXYOMPVNZDQ-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2413 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 197.9
[M+Na]+ 407.23052 202.8
[M-H]- 383.23402 203.8
[M+NH4]+ 402.27512 206.6
[M+K]+ 423.20446 198.3
[M+H-H2O]+ 367.23856 186.0
[M+HCOO]- 429.23950 213.8
[M+CH3COO]- 443.25515 223.0
[M+Na-2H]- 405.21597 196.8
[M]+ 384.24075 200.0
[M]- 384.24185 200.0
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.