CID 11697408

Schembl4938121

Structural Information

Molecular Formula
C24H30N6O
SMILES
CN(CC1=NC2=CC=CC=C2N1CC(=O)N3CCNCC3)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C24H30N6O/c1-28(21-10-4-6-18-7-5-11-26-24(18)21)16-22-27-19-8-2-3-9-20(19)30(22)17-23(31)29-14-12-25-13-15-29/h2-3,5,7-9,11,21,25H,4,6,10,12-17H2,1H3
InChIKey
NXOMJPAPICPZMZ-UHFFFAOYSA-N
Compound name
2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]-1-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

418.2481 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.25538 201.2
[M+Na]+ 441.23732 204.2
[M-H]- 417.24082 204.3
[M+NH4]+ 436.28192 206.5
[M+K]+ 457.21126 196.8
[M+H-H2O]+ 401.24536 187.2
[M+HCOO]- 463.24630 210.2
[M+CH3COO]- 477.26195 206.2
[M+Na-2H]- 439.22277 201.5
[M]+ 418.24755 195.8
[M]- 418.24865 195.8
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