CID 11538107

Chembl576429

Structural Information

Molecular Formula
C23H31N5
SMILES
CN(C)CCCC1=C2C(=CC=C1)NC(=N2)CN(C)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C23H31N5/c1-27(2)15-7-11-17-8-4-12-19-22(17)26-21(25-19)16-28(3)20-13-5-9-18-10-6-14-24-23(18)20/h4,6,8,10,12,14,20H,5,7,9,11,13,15-16H2,1-3H3,(H,25,26)
InChIKey
TXSSWGGJUUVKKX-UHFFFAOYSA-N
Compound name
N-[[4-[3-(dimethylamino)propyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

377.25793 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.26521 193.6
[M+Na]+ 400.24715 198.4
[M-H]- 376.25065 198.5
[M+NH4]+ 395.29175 205.0
[M+K]+ 416.22109 192.6
[M+H-H2O]+ 360.25519 181.9
[M+HCOO]- 422.25613 211.1
[M+CH3COO]- 436.27178 201.8
[M+Na-2H]- 398.23260 196.3
[M]+ 377.25738 194.5
[M]- 377.25848 194.5
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