CID 415823

Nsc73283

Structural Information

Molecular Formula
C28H28N6O2
SMILES
C1CN=C(N1)C2=CC=C(C=C2)NC(=O)CCC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5
InChI
InChI=1S/C28H28N6O2/c35-25(33-23-10-6-20(7-11-23)26-29-15-16-30-26)14-3-19-1-4-22(5-2-19)28(36)34-24-12-8-21(9-13-24)27-31-17-18-32-27/h1-2,4-13H,3,14-18H2,(H,29,30)(H,31,32)(H,33,35)(H,34,36)
InChIKey
IPQFFPVCRBUZRW-UHFFFAOYSA-N
Compound name
4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-3-oxopropyl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

480.2274 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.23468 207.8
[M+Na]+ 503.21662 208.9
[M-H]- 479.22012 215.9
[M+NH4]+ 498.26122 209.9
[M+K]+ 519.19056 200.9
[M+H-H2O]+ 463.22466 194.9
[M+HCOO]- 525.22560 222.5
[M+CH3COO]- 539.24125 212.7
[M+Na-2H]- 501.20207 205.5
[M]+ 480.22685 201.4
[M]- 480.22795 201.4
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.