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 205.3
[M+Na]+ 449.21728 206.9
[M-H]- 425.22078 217.6
[M+NH4]+ 444.26188 213.5
[M+K]+ 465.19122 203.9
[M+H-H2O]+ 409.22532 193.0
[M+HCOO]- 471.22626 235.3
[M+CH3COO]- 485.24191 257.4
[M+Na-2H]- 447.20273 205.7
[M]+ 426.22751 199.3
[M]- 426.22861 199.3
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

patents stripe