CID 9574865

1h-benzimidazole-5-carboximidamide, 2,2'-(1,4-butanediyl)bis[n'-hydroxy-1-methyl-

Structural Information

Molecular Formula
C22H26N8O2
SMILES
CN1C(=NC2=C1C=CC(=C2)/C(=N/O)/N)CCCCC3=NC4=C(N3C)C=CC(=C4)/C(=N/O)/N
InChI
InChI=1S/C22H26N8O2/c1-29-17-9-7-13(21(23)27-31)11-15(17)25-19(29)5-3-4-6-20-26-16-12-14(22(24)28-32)8-10-18(16)30(20)2/h7-12,31-32H,3-6H2,1-2H3,(H2,23,27)(H2,24,28)
InChIKey
IWKUJTBGBJEAIZ-UHFFFAOYSA-N
Compound name
N'-hydroxy-2-[4-[5-[(Z)-N'-hydroxycarbamimidoyl]-1-methylbenzimidazol-2-yl]butyl]-1-methylbenzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.21786 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.22514 202.9
[M+Na]+ 457.20708 211.4
[M-H]- 433.21058 208.2
[M+NH4]+ 452.25168 211.8
[M+K]+ 473.18102 205.6
[M+H-H2O]+ 417.21512 192.9
[M+HCOO]- 479.21606 224.8
[M+CH3COO]- 493.23171 211.4
[M+Na-2H]- 455.19253 204.4
[M]+ 434.21731 207.0
[M]- 434.21841 207.0
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.