CID 6474343

Sb58

Structural Information

Molecular Formula
C24H28N8
SMILES
CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)/C=C\C3=NC4=C(N3)C=C(C=C4)C(=NC(C)C)N)N
InChI
InChI=1S/C24H28N8/c1-13(2)27-23(25)15-5-7-17-19(11-15)31-21(29-17)9-10-22-30-18-8-6-16(12-20(18)32-22)24(26)28-14(3)4/h5-14H,1-4H3,(H2,25,27)(H2,26,28)(H,29,31)(H,30,32)/b10-9-
InChIKey
QHDYUEBLZSTDOP-KTKRTIGZSA-N
Compound name
N'-propan-2-yl-2-[(Z)-2-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]ethenyl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

428.24368 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.25096 204.7
[M+Na]+ 451.23290 210.9
[M-H]- 427.23640 209.3
[M+NH4]+ 446.27750 213.4
[M+K]+ 467.20684 203.9
[M+H-H2O]+ 411.24094 194.6
[M+HCOO]- 473.24188 224.0
[M+CH3COO]- 487.25753 212.0
[M+Na-2H]- 449.21835 204.4
[M]+ 428.24313 204.3
[M]- 428.24423 204.3
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.