CID 11661714

Schembl4935957

Structural Information

Molecular Formula
C26H37N5
SMILES
CC(C)CCNCCCN1C2=CC=CC=C2N=C1CN(C)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C26H37N5/c1-20(2)14-17-27-15-8-18-31-23-12-5-4-11-22(23)29-25(31)19-30(3)24-13-6-9-21-10-7-16-28-26(21)24/h4-5,7,10-12,16,20,24,27H,6,8-9,13-15,17-19H2,1-3H3
InChIKey
SMYBYHLPPUNRDO-UHFFFAOYSA-N
Compound name
N-methyl-N-[[1-[3-(3-methylbutylamino)propyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

419.3049 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.31218 206.8
[M+Na]+ 442.29412 210.1
[M-H]- 418.29762 211.0
[M+NH4]+ 437.33872 216.3
[M+K]+ 458.26806 203.6
[M+H-H2O]+ 402.30216 194.4
[M+HCOO]- 464.30310 223.1
[M+CH3COO]- 478.31875 213.5
[M+Na-2H]- 440.27957 207.9
[M]+ 419.30435 208.4
[M]- 419.30545 208.4
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