CID 11704410

Schembl4932330

Structural Information

Molecular Formula
C26H35N5
SMILES
CN(C)C1CCC(CC1)N2C3=CC=CC=C3N=C2CN(C)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C26H35N5/c1-29(2)20-13-15-21(16-14-20)31-23-11-5-4-10-22(23)28-25(31)18-30(3)24-12-6-8-19-9-7-17-27-26(19)24/h4-5,7,9-11,17,20-21,24H,6,8,12-16,18H2,1-3H3
InChIKey
VDNGVRIFOSTRQK-UHFFFAOYSA-N
Compound name
N-[[1-[4-(dimethylamino)cyclohexyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

417.28925 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.29653 203.5
[M+Na]+ 440.27847 206.3
[M-H]- 416.28197 211.7
[M+NH4]+ 435.32307 213.0
[M+K]+ 456.25241 200.5
[M+H-H2O]+ 400.28651 190.0
[M+HCOO]- 462.28745 218.1
[M+CH3COO]- 476.30310 210.3
[M+Na-2H]- 438.26392 203.2
[M]+ 417.28870 200.3
[M]- 417.28980 200.3
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