CID 11683020

Schembl4940208

Structural Information

Molecular Formula
C26H29N5
SMILES
CN(CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)CN)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C26H29N5/c1-30(24-10-4-6-21-7-5-15-28-26(21)24)18-25-29-22-8-2-3-9-23(22)31(25)17-20-13-11-19(16-27)12-14-20/h2-3,5,7-9,11-15,24H,4,6,10,16-18,27H2,1H3
InChIKey
BBOCVTVNQPABFO-UHFFFAOYSA-N
Compound name
N-[[1-[[4-(aminomethyl)phenyl]methyl]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

4
Patents

411.2423 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.24958 200.8
[M+Na]+ 434.23152 206.7
[M-H]- 410.23502 208.6
[M+NH4]+ 429.27612 210.1
[M+K]+ 450.20546 198.7
[M+H-H2O]+ 394.23956 187.9
[M+HCOO]- 456.24050 218.7
[M+CH3COO]- 470.25615 208.6
[M+Na-2H]- 432.21697 203.6
[M]+ 411.24175 199.9
[M]- 411.24285 199.9
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