CID 23637240

1,4-piperazinedicarboxamidine, n,n''-bis((p-methoxyphenyl)amidino)-, dihydrochloride

Structural Information

Molecular Formula
C22H30N10O2
SMILES
COC1=CC=C(C=C1)NC(=N/C(=N\C(=NC2=CC=C(C=C2)OC)N)/N3CCN(CC3)C(=N)N)N
InChI
InChI=1S/C22H30N10O2/c1-33-17-7-3-15(4-8-17)27-20(25)29-22(32-13-11-31(12-14-32)19(23)24)30-21(26)28-16-5-9-18(34-2)10-6-16/h3-10H,11-14H2,1-2H3,(H3,23,24)(H5,25,26,27,28,29,30)
InChIKey
YJOQRISHILRTDT-UHFFFAOYSA-N
Compound name
4-N-[amino-(4-methoxyanilino)methylidene]-4-N'-[N'-(4-methoxyphenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.2553 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.26258 207.8
[M+Na]+ 489.24452 211.1
[M+NH4]+ 484.28912 209.9
[M+K]+ 505.21846 208.4
[M-H]- 465.24802 214.2
[M+Na-2H]- 487.22997 212.7
[M]+ 466.25475 208.9
[M]- 466.25585 208.9
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.