CID 11545285

Schembl4938056

Structural Information

Molecular Formula
C23H29N5
SMILES
CN1CC(C1)CN2C3=CC=CC=C3N=C2CN(C)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C23H29N5/c1-26-13-17(14-26)15-28-20-10-4-3-9-19(20)25-22(28)16-27(2)21-11-5-7-18-8-6-12-24-23(18)21/h3-4,6,8-10,12,17,21H,5,7,11,13-16H2,1-2H3
InChIKey
IBMXMPNDZLRVME-UHFFFAOYSA-N
Compound name
N-methyl-N-[[1-[(1-methylazetidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

375.2423 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.24958 192.4
[M+Na]+ 398.23152 197.7
[M-H]- 374.23502 198.6
[M+NH4]+ 393.27612 196.5
[M+K]+ 414.20546 194.5
[M+H-H2O]+ 358.23956 174.4
[M+HCOO]- 420.24050 206.6
[M+CH3COO]- 434.25615 200.0
[M+Na-2H]- 396.21697 193.5
[M]+ 375.24175 200.6
[M]- 375.24285 200.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe