CID 6338183

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

Structural Information

Molecular Formula
C22H30N10
SMILES
CC1=CC=C(C=C1)N=C(/N=C(/N2CCN(CC2)/C(=N/C(=NC3=CC=C(C=C3)C)N)/N)\N)N
InChI
InChI=1S/C22H30N10/c1-15-3-7-17(8-4-15)27-19(23)29-21(25)31-11-13-32(14-12-31)22(26)30-20(24)28-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3,(H4,23,25,27,29)(H4,24,26,28,30)
InChIKey
XOVYMAOCHFJDIB-UHFFFAOYSA-N
Compound name
1-N',4-N'-bis[N'-(4-methylphenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.2655 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.27278 204.4
[M+Na]+ 457.25472 204.6
[M-H]- 433.25822 214.0
[M+NH4]+ 452.29932 210.1
[M+K]+ 473.22866 202.0
[M+H-H2O]+ 417.26276 191.5
[M+HCOO]- 479.26370 228.9
[M+CH3COO]- 493.27935 255.8
[M+Na-2H]- 455.24017 204.7
[M]+ 434.26495 194.8
[M]- 434.26605 194.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.