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]+ 385.248576 197.9
[M+Na]+ 407.230518 202.8
[M-H]- 383.234024 203.8
[M+NH4]+ 402.275123 206.6
[M+K]+ 423.204458 198.3
[M+H-H2O]+ 367.238560 186.0
[M+HCOO]- 429.239501 213.8
[M+CH3COO]- 443.255151 223.0
[M+Na-2H]- 405.215966 196.8
[M]+ 384.24075142 200.0
[M]- 384.24184858 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.