CID 9805513

Amd-9370

Structural Information

Molecular Formula
C30H28N6O
SMILES
C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=C(C=C3)C(=O)NC4=CC=CC=N4)CC5=NC6=CC=CC=C6N5
InChI
InChI=1S/C30H28N6O/c37-30(35-27-12-3-4-17-31-27)23-15-13-21(14-16-23)19-36(20-28-33-24-9-1-2-10-25(24)34-28)26-11-5-7-22-8-6-18-32-29(22)26/h1-4,6,8-10,12-18,26H,5,7,11,19-20H2,(H,33,34)(H,31,35,37)
InChIKey
OZRIBMWKRWFARD-UHFFFAOYSA-N
Compound name
4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-pyridin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
Patents

488.23245 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.23973 211.7
[M+Na]+ 511.22167 214.9
[M-H]- 487.22517 219.7
[M+NH4]+ 506.26627 214.5
[M+K]+ 527.19561 206.0
[M+H-H2O]+ 471.22971 196.9
[M+HCOO]- 533.23065 226.1
[M+CH3COO]- 547.24630 216.9
[M+Na-2H]- 509.20712 215.9
[M]+ 488.23190 208.5
[M]- 488.23300 208.5
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.