CID 11531436

Schembl4939109

Structural Information

Molecular Formula
C24H28N6
SMILES
CN1C=NC=C1CCN2C3=CC=CC=C3N=C2CN(C)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C24H28N6/c1-28(22-11-5-7-18-8-6-13-26-24(18)22)16-23-27-20-9-3-4-10-21(20)30(23)14-12-19-15-25-17-29(19)2/h3-4,6,8-10,13,15,17,22H,5,7,11-12,14,16H2,1-2H3
InChIKey
IEIXJEORNZDGHV-UHFFFAOYSA-N
Compound name
N-methyl-N-[[1-[2-(3-methylimidazol-4-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

400.23755 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.24483 198.7
[M+Na]+ 423.22677 206.2
[M-H]- 399.23027 205.3
[M+NH4]+ 418.27137 208.3
[M+K]+ 439.20071 198.8
[M+H-H2O]+ 383.23481 185.6
[M+HCOO]- 445.23575 215.1
[M+CH3COO]- 459.25140 206.9
[M+Na-2H]- 421.21222 198.9
[M]+ 400.23700 200.7
[M]- 400.23810 200.7
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