CID 11668169

Schembl4278422

Structural Information

Molecular Formula
C23H26N6
SMILES
CN(CC1=NC2=CC=CC=C2N1CCN3C=CN=C3)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C23H26N6/c1-27(21-10-4-6-18-7-5-11-25-23(18)21)16-22-26-19-8-2-3-9-20(19)29(22)15-14-28-13-12-24-17-28/h2-3,5,7-9,11-13,17,21H,4,6,10,14-16H2,1H3
InChIKey
HVZWJFPRDLAUFE-UHFFFAOYSA-N
Compound name
N-[[1-(2-imidazol-1-ylethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

386.2219 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.22918 192.7
[M+Na]+ 409.21112 199.7
[M-H]- 385.21462 199.0
[M+NH4]+ 404.25572 202.6
[M+K]+ 425.18506 192.7
[M+H-H2O]+ 369.21916 179.5
[M+HCOO]- 431.22010 209.5
[M+CH3COO]- 445.23575 201.1
[M+Na-2H]- 407.19657 194.3
[M]+ 386.22135 194.0
[M]- 386.22245 194.0
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