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 206.8
[M+Na]+ 489.24452 206.0
[M-H]- 465.24802 215.6
[M+NH4]+ 484.28912 210.6
[M+K]+ 505.21846 204.7
[M+H-H2O]+ 449.25256 193.9
[M+HCOO]- 511.25350 230.9
[M+CH3COO]- 525.26915 259.0
[M+Na-2H]- 487.22997 208.4
[M]+ 466.25475 198.9
[M]- 466.25585 198.9
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.