CID 456209

Chembl52393

Structural Information

Molecular Formula
C24H30N8
SMILES
C1=CC2=C(C=C1C(=N)N)NC(=N2)CCCCCCCCC3=NC4=C(N3)C=C(C=C4)C(=N)N
InChI
InChI=1S/C24H30N8/c25-23(26)15-9-11-17-19(13-15)31-21(29-17)7-5-3-1-2-4-6-8-22-30-18-12-10-16(24(27)28)14-20(18)32-22/h9-14H,1-8H2,(H3,25,26)(H3,27,28)(H,29,31)(H,30,32)
InChIKey
JRFGXXLXDHLUEU-UHFFFAOYSA-N
Compound name
2-[8-(6-carbamimidoyl-1H-benzimidazol-2-yl)octyl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

141
Patents

430.25934 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.26662 199.4
[M+Na]+ 453.24856 204.9
[M-H]- 429.25206 201.1
[M+NH4]+ 448.29316 206.7
[M+K]+ 469.22250 196.0
[M+H-H2O]+ 413.25660 189.4
[M+HCOO]- 475.25754 217.7
[M+CH3COO]- 489.27319 205.8
[M+Na-2H]- 451.23401 201.0
[M]+ 430.25879 197.6
[M]- 430.25989 197.6
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