CID 3079375

N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-propoxybenzenecarboximidamide hcl

Structural Information

Molecular Formula
C24H32N4O3
SMILES
CCCOC1=CC=C(C=C1)C(=NCCN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)N
InChI
InChI=1S/C24H32N4O3/c1-2-15-29-21-6-4-20(5-7-21)24(25)26-9-10-27-11-13-28(14-12-27)17-19-3-8-22-23(16-19)31-18-30-22/h3-8,16H,2,9-15,17-18H2,1H3,(H2,25,26)
InChIKey
ZAMVPDDISKXPJY-UHFFFAOYSA-N
Compound name
N'-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-4-propoxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.24744 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.254716 205.6
[M+Na]+ 447.236658 207.5
[M-H]- 423.240164 213.7
[M+NH4]+ 442.281263 211.7
[M+K]+ 463.210598 204.8
[M+H-H2O]+ 407.244700 193.8
[M+HCOO]- 469.245641 220.6
[M+CH3COO]- 483.261291 212.4
[M+Na-2H]- 445.222106 205.2
[M]+ 424.24689142 204.9
[M]- 424.24798858 204.9
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.