CID 11718227

Schembl4938164

Structural Information

Molecular Formula
C25H27N5
SMILES
CN(CC1=NC2=CC=CC=C2N1CCC3=CC=CC=N3)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C25H27N5/c1-29(23-13-6-8-19-9-7-16-27-25(19)23)18-24-28-21-11-2-3-12-22(21)30(24)17-14-20-10-4-5-15-26-20/h2-5,7,9-12,15-16,23H,6,8,13-14,17-18H2,1H3
InChIKey
UORGAJVOEKJXAA-UHFFFAOYSA-N
Compound name
N-methyl-N-[[1-(2-pyridin-2-ylethyl)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

397.22665 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.23393 197.9
[M+Na]+ 420.21587 204.1
[M-H]- 396.21937 204.4
[M+NH4]+ 415.26047 206.5
[M+K]+ 436.18981 196.1
[M+H-H2O]+ 380.22391 183.9
[M+HCOO]- 442.22485 214.2
[M+CH3COO]- 456.24050 205.6
[M+Na-2H]- 418.20132 201.7
[M]+ 397.22610 198.0
[M]- 397.22720 198.0
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