CID 497826

Schembl8820325

Structural Information

Molecular Formula
C37H38N6O2
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)CCCCCCCCCC(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C37H38N6O2/c44-34(38-28-22-18-26(19-23-28)36-40-30-12-8-9-13-31(30)41-36)16-6-4-2-1-3-5-7-17-35(45)39-29-24-20-27(21-25-29)37-42-32-14-10-11-15-33(32)43-37/h8-15,18-25H,1-7,16-17H2,(H,38,44)(H,39,45)(H,40,41)(H,42,43)
InChIKey
FEGKTIQLJQEZMJ-UHFFFAOYSA-N
Compound name
N,N'-bis[4-(1H-benzimidazol-2-yl)phenyl]undecanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

598.3056 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.31288 238.3
[M+Na]+ 621.29482 240.7
[M-H]- 597.29832 245.3
[M+NH4]+ 616.33942 237.9
[M+K]+ 637.26876 230.5
[M+H-H2O]+ 581.30286 225.0
[M+HCOO]- 643.30380 253.0
[M+CH3COO]- 657.31945 241.6
[M+Na-2H]- 619.28027 238.1
[M]+ 598.30505 240.1
[M]- 598.30615 240.1
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.