CID 23541

Amidino tic

Structural Information

Molecular Formula
C24H26N8
SMILES
CN=C(C1=CC=C(C=C1)N=C(C2=CC=C(C=C2)C(=NC3=CC=C(C=C3)C(=NC)N)N)N)N
InChI
InChI=1S/C24H26N8/c1-29-21(25)15-7-11-19(12-8-15)31-23(27)17-3-5-18(6-4-17)24(28)32-20-13-9-16(10-14-20)22(26)30-2/h3-14H,1-2H3,(H2,25,29)(H2,26,30)(H2,27,31)(H2,28,32)
InChIKey
VQQQRERMPYGZGF-UHFFFAOYSA-N
Compound name
1-N',4-N'-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,4-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

426.22806 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.23534 208.0
[M+Na]+ 449.21728 215.1
[M+NH4]+ 444.26188 212.8
[M+K]+ 465.19122 209.0
[M-H]- 425.22078 217.7
[M+Na-2H]- 447.20273 216.0
[M]+ 426.22751 211.1
[M]- 426.22861 211.1
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.