CID 65558

Chloro tic

Structural Information

Molecular Formula
C26H23ClN6O2
SMILES
C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)Cl
InChI
InChI=1S/C26H23ClN6O2/c27-22-15-18(25(34)32-19-6-1-16(2-7-19)23-28-11-12-29-23)5-10-21(22)26(35)33-20-8-3-17(4-9-20)24-30-13-14-31-24/h1-10,15H,11-14H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)
InChIKey
UJQGBYRKCZQJJS-UHFFFAOYSA-N
Compound name
2-chloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

1
Patents

486.1571 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.16438 214.2
[M+Na]+ 509.14632 226.7
[M+NH4]+ 504.19092 218.9
[M+K]+ 525.12026 223.4
[M-H]- 485.14982 220.9
[M+Na-2H]- 507.13177 223.5
[M]+ 486.15655 217.8
[M]- 486.15765 217.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe