CID 482215

N,n'-bis[4-(1h-benzimidazol-2-yl)phenyl]butanediamide

Structural Information

Molecular Formula
C30H24N6O2
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)CCC(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C30H24N6O2/c37-27(31-21-13-9-19(10-14-21)29-33-23-5-1-2-6-24(23)34-29)17-18-28(38)32-22-15-11-20(12-16-22)30-35-25-7-3-4-8-26(25)36-30/h1-16H,17-18H2,(H,31,37)(H,32,38)(H,33,34)(H,35,36)
InChIKey
LGKLERKAPZQRMF-UHFFFAOYSA-N
Compound name
N,N'-bis[4-(1H-benzimidazol-2-yl)phenyl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

500.19608 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.20336 211.5
[M+Na]+ 523.18530 217.5
[M-H]- 499.18880 220.0
[M+NH4]+ 518.22990 215.3
[M+K]+ 539.15924 208.2
[M+H-H2O]+ 483.19334 199.6
[M+HCOO]- 545.19428 228.8
[M+CH3COO]- 559.20993 217.9
[M+Na-2H]- 521.17075 214.6
[M]+ 500.19553 211.7
[M]- 500.19663 211.7
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.