CID 486283

N,n'-bis(1h-benzimidazol-2-yl)butanediamide

Structural Information

Molecular Formula
C18H16N6O2
SMILES
C1=CC=C2C(=C1)NC(=N2)NC(=O)CCC(=O)NC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C18H16N6O2/c25-15(23-17-19-11-5-1-2-6-12(11)20-17)9-10-16(26)24-18-21-13-7-3-4-8-14(13)22-18/h1-8H,9-10H2,(H2,19,20,23,25)(H2,21,22,24,26)
InChIKey
ZZMJYLFARIWSOY-UHFFFAOYSA-N
Compound name
N,N'-bis(1H-benzimidazol-2-yl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

348.13348 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14076 175.2
[M+Na]+ 371.12270 183.2
[M-H]- 347.12620 177.8
[M+NH4]+ 366.16730 186.3
[M+K]+ 387.09664 176.5
[M+H-H2O]+ 331.13074 165.7
[M+HCOO]- 393.13168 194.9
[M+CH3COO]- 407.14733 184.5
[M+Na-2H]- 369.10815 181.0
[M]+ 348.13293 176.0
[M]- 348.13403 176.0
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

No patent data available for this compound.