CID 6477702

Schembl8870775

Structural Information

Molecular Formula
C32H26N6O2
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)CC/C=C/C(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C32H26N6O2/c39-29(33-23-17-13-21(14-18-23)31-35-25-7-1-2-8-26(25)36-31)11-5-6-12-30(40)34-24-19-15-22(16-20-24)32-37-27-9-3-4-10-28(27)38-32/h1-5,7-11,13-20H,6,12H2,(H,33,39)(H,34,40)(H,35,36)(H,37,38)/b11-5+
InChIKey
DCDCWGJMZMWWAV-VZUCSPMQSA-N
Compound name
(E)-N,N'-bis[4-(1H-benzimidazol-2-yl)phenyl]hex-2-enediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

526.21173 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.21901 219.8
[M+Na]+ 549.20095 225.2
[M-H]- 525.20445 228.0
[M+NH4]+ 544.24555 222.5
[M+K]+ 565.17489 215.0
[M+H-H2O]+ 509.20899 207.6
[M+HCOO]- 571.20993 236.5
[M+CH3COO]- 585.22558 225.3
[M+Na-2H]- 547.18640 221.8
[M]+ 526.21118 219.7
[M]- 526.21228 219.7
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.