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]+ 425.25472 205.6
[M+Na]+ 447.23666 207.5
[M-H]- 423.24016 213.7
[M+NH4]+ 442.28126 211.7
[M+K]+ 463.21060 204.8
[M+H-H2O]+ 407.24470 193.8
[M+HCOO]- 469.24564 220.6
[M+CH3COO]- 483.26129 212.4
[M+Na-2H]- 445.22211 205.2
[M]+ 424.24689 204.9
[M]- 424.24799 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.