CID 11517347

Schembl4936708

Structural Information

Molecular Formula
C25H33N5O
SMILES
CN(CC1=NC2=CC=CC=C2N1CCCN3CCOCC3)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C25H33N5O/c1-28(23-11-4-7-20-8-5-12-26-25(20)23)19-24-27-21-9-2-3-10-22(21)30(24)14-6-13-29-15-17-31-18-16-29/h2-3,5,8-10,12,23H,4,6-7,11,13-19H2,1H3
InChIKey
WLIBRESIFPMSPY-UHFFFAOYSA-N
Compound name
N-methyl-N-[[1-(3-morpholin-4-ylpropyl)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

419.26852 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.27580 203.5
[M+Na]+ 442.25774 206.8
[M-H]- 418.26124 209.4
[M+NH4]+ 437.30234 209.7
[M+K]+ 458.23168 201.1
[M+H-H2O]+ 402.26578 189.3
[M+HCOO]- 464.26672 214.8
[M+CH3COO]- 478.28237 209.6
[M+Na-2H]- 440.24319 204.4
[M]+ 419.26797 201.3
[M]- 419.26907 201.3
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