CID 414765

13608-72-5

Structural Information

Molecular Formula
C26H24N6O2
SMILES
C1CN=C(N1)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5
InChI
InChI=1S/C26H24N6O2/c33-25(19-6-4-17(5-7-19)23-27-12-13-28-23)32-22-3-1-2-20(16-22)26(34)31-21-10-8-18(9-11-21)24-29-14-15-30-24/h1-11,16H,12-15H2,(H,27,28)(H,29,30)(H,31,34)(H,32,33)
InChIKey
PFGQCHVEBFCZAJ-UHFFFAOYSA-N
Compound name
3-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

452.19608 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.203356 200.2
[M+Na]+ 475.185298 202.3
[M-H]- 451.188804 208.7
[M+NH4]+ 470.229903 203.4
[M+K]+ 491.159238 194.5
[M+H-H2O]+ 435.193340 187.7
[M+HCOO]- 497.194281 215.6
[M+CH3COO]- 511.209931 205.9
[M+Na-2H]- 473.170746 198.8
[M]+ 452.19553142 193.2
[M]- 452.19662858 193.2
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.