CID 11567344

Schembl4933416

Structural Information

Molecular Formula
C22H28N6O
SMILES
CN(CC1=NC2=CC=CC=C2N1CC(=O)NCCN)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C22H28N6O/c1-27(19-10-4-6-16-7-5-12-25-22(16)19)14-20-26-17-8-2-3-9-18(17)28(20)15-21(29)24-13-11-23/h2-3,5,7-9,12,19H,4,6,10-11,13-15,23H2,1H3,(H,24,29)
InChIKey
OCODMMOTZUFEQM-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

392.23245 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.23973 192.5
[M+Na]+ 415.22167 197.0
[M-H]- 391.22517 197.3
[M+NH4]+ 410.26627 202.6
[M+K]+ 431.19561 191.6
[M+H-H2O]+ 375.22971 181.0
[M+HCOO]- 437.23065 211.3
[M+CH3COO]- 451.24630 200.4
[M+Na-2H]- 413.20712 196.1
[M]+ 392.23190 192.2
[M]- 392.23300 192.2
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

patents stripe