CID 15959053

Schembl4134634

Structural Information

Molecular Formula
C22H27N5
SMILES
CN(CC1=NC2=CC=CC=C2N1CC3CNC3)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C22H27N5/c1-26(20-10-4-6-17-7-5-11-24-22(17)20)15-21-25-18-8-2-3-9-19(18)27(21)14-16-12-23-13-16/h2-3,5,7-9,11,16,20,23H,4,6,10,12-15H2,1H3
InChIKey
HFNDUSMDFMWDEG-UHFFFAOYSA-N
Compound name
N-[[1-(azetidin-3-ylmethyl)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

361.22665 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.23393 186.2
[M+Na]+ 384.21587 190.7
[M-H]- 360.21937 191.0
[M+NH4]+ 379.26047 190.0
[M+K]+ 400.18981 187.0
[M+H-H2O]+ 344.22391 168.5
[M+HCOO]- 406.22485 199.4
[M+CH3COO]- 420.24050 193.4
[M+Na-2H]- 382.20132 188.4
[M]+ 361.22610 192.1
[M]- 361.22720 192.1
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