CID 11625279

Chembl1091591

Structural Information

Molecular Formula
C24H31N5
SMILES
CN1CCC(CC1)N2C3=CC=CC=C3N=C2CN(C)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C24H31N5/c1-27-15-12-19(13-16-27)29-21-10-4-3-9-20(21)26-23(29)17-28(2)22-11-5-7-18-8-6-14-25-24(18)22/h3-4,6,8-10,14,19,22H,5,7,11-13,15-17H2,1-2H3
InChIKey
FFROZRURSWKTSQ-UHFFFAOYSA-N
Compound name
N-methyl-N-[[1-(1-methylpiperidin-4-yl)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

389.25793 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.26521 197.6
[M+Na]+ 412.24715 202.1
[M-H]- 388.25065 203.4
[M+NH4]+ 407.29175 206.6
[M+K]+ 428.22109 194.9
[M+H-H2O]+ 372.25519 183.7
[M+HCOO]- 434.25613 210.0
[M+CH3COO]- 448.27178 204.4
[M+Na-2H]- 410.23260 197.9
[M]+ 389.25738 193.6
[M]- 389.25848 193.6
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