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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.