CID 3080401

1-piperazinecarboximidamide, n-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-n'-(2-methylpropyl)-,monohydrochloride

Structural Information

Molecular Formula
C22H28Cl2N4O
SMILES
CC(C)CN=C(NC1=CC(=C(C=C1)Cl)Cl)N2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C22H28Cl2N4O/c1-16(2)15-25-22(26-17-8-9-18(23)19(24)14-17)28-12-10-27(11-13-28)20-6-4-5-7-21(20)29-3/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,26)
InChIKey
RBOMQXYVSYEKPG-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-N'-(2-methylpropyl)piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

434.16403 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.17131 205.5
[M+Na]+ 457.15325 210.0
[M-H]- 433.15675 211.6
[M+NH4]+ 452.19785 213.6
[M+K]+ 473.12719 203.2
[M+H-H2O]+ 417.16129 194.6
[M+HCOO]- 479.16223 213.7
[M+CH3COO]- 493.17788 233.4
[M+Na-2H]- 455.13870 203.8
[M]+ 434.16348 206.5
[M]- 434.16458 206.5
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

patents stripe