CID 10149770

Chembl1093302

Structural Information

Molecular Formula
C19H23N5
SMILES
C1CC(C2=C(C1)C=CC=N2)N(CCN)CC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C19H23N5/c20-10-12-24(13-18-22-15-7-1-2-8-16(15)23-18)17-9-3-5-14-6-4-11-21-19(14)17/h1-2,4,6-8,11,17H,3,5,9-10,12-13,20H2,(H,22,23)
InChIKey
LGYLONLVNWTPCP-UHFFFAOYSA-N
Compound name
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

321.19534 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.20262 173.3
[M+Na]+ 344.18456 179.1
[M-H]- 320.18806 176.8
[M+NH4]+ 339.22916 186.0
[M+K]+ 360.15850 172.5
[M+H-H2O]+ 304.19260 162.5
[M+HCOO]- 366.19354 191.3
[M+CH3COO]- 380.20919 182.3
[M+Na-2H]- 342.17001 178.9
[M]+ 321.19479 170.5
[M]- 321.19589 170.5
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