CID 15959050

Schembl4108203

Structural Information

Molecular Formula
C20H25N5
SMILES
C1CC(C2=C(C1)C=CC=N2)NCC3=NC4=CC=CC=C4N3CCCN
InChI
InChI=1S/C20H25N5/c21-11-5-13-25-18-10-2-1-8-16(18)24-19(25)14-23-17-9-3-6-15-7-4-12-22-20(15)17/h1-2,4,7-8,10,12,17,23H,3,5-6,9,11,13-14,21H2
InChIKey
HEPWOFBXMDSUEO-UHFFFAOYSA-N
Compound name
N-[[1-(3-aminopropyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

335.211 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21828 178.5
[M+Na]+ 358.20022 185.2
[M-H]- 334.20372 182.1
[M+NH4]+ 353.24482 191.0
[M+K]+ 374.17416 177.7
[M+H-H2O]+ 318.20826 167.6
[M+HCOO]- 380.20920 197.2
[M+CH3COO]- 394.22485 187.5
[M+Na-2H]- 356.18567 183.9
[M]+ 335.21045 177.0
[M]- 335.21155 177.0
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

patents stripe