CID 9574449

2,2'-butane-1,4-diylbis(n'-hydroxy-1h-benzimidazole-5-carboximidamide)

Structural Information

Molecular Formula
C20H22N8O2
SMILES
C1=CC2=C(NC(=N2)CCCCC3=NC4=C(N3)C=C(C=C4)/C(=N\O)/N)C=C1/C(=N\O)/N
InChI
InChI=1S/C20H22N8O2/c21-19(27-29)11-5-7-13-15(9-11)25-17(23-13)3-1-2-4-18-24-14-8-6-12(20(22)28-30)10-16(14)26-18/h5-10,29-30H,1-4H2,(H2,21,27)(H2,22,28)(H,23,25)(H,24,26)
InChIKey
CWIVBBZJXVDXRN-UHFFFAOYSA-N
Compound name
N'-hydroxy-2-[4-[6-[(E)-N'-hydroxycarbamimidoyl]-1H-benzimidazol-2-yl]butyl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.18658 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19386 187.8
[M+Na]+ 429.17580 194.7
[M-H]- 405.17930 190.4
[M+NH4]+ 424.22040 196.1
[M+K]+ 445.14974 188.1
[M+H-H2O]+ 389.18384 178.4
[M+HCOO]- 451.18478 207.8
[M+CH3COO]- 465.20043 195.7
[M+Na-2H]- 427.16125 191.8
[M]+ 406.18603 187.3
[M]- 406.18713 187.3
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.