CID 45484643

Chembl567586

Structural Information

Molecular Formula
C19H23N5
SMILES
CN(CC1=NC2=C(C=CC=C2N1)CN)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C19H23N5/c1-24(16-9-3-5-13-7-4-10-21-19(13)16)12-17-22-15-8-2-6-14(11-20)18(15)23-17/h2,4,6-8,10,16H,3,5,9,11-12,20H2,1H3,(H,22,23)
InChIKey
OMLVBIDJWAJDIM-UHFFFAOYSA-N
Compound name
N-[[4-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.19534 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.20262 175.1
[M+Na]+ 344.18456 181.9
[M-H]- 320.18806 179.0
[M+NH4]+ 339.22916 188.1
[M+K]+ 360.15850 175.2
[M+H-H2O]+ 304.19260 164.6
[M+HCOO]- 366.19354 193.1
[M+CH3COO]- 380.20919 184.4
[M+Na-2H]- 342.17001 179.9
[M]+ 321.19479 172.7
[M]- 321.19589 172.7
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

No patent data available for this compound.