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

0
Patents

452.19608 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.20336 200.2
[M+Na]+ 475.18530 202.3
[M-H]- 451.18880 208.7
[M+NH4]+ 470.22990 203.4
[M+K]+ 491.15924 194.5
[M+H-H2O]+ 435.19334 187.7
[M+HCOO]- 497.19428 215.6
[M+CH3COO]- 511.20993 205.9
[M+Na-2H]- 473.17075 198.8
[M]+ 452.19553 193.2
[M]- 452.19663 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.