CID 11537855

Schembl4935675

Structural Information

Molecular Formula
C22H29N5
SMILES
CCN(CC1=NC2=CC=CC=C2N1CCCN)C3CCCC4=C3N=CC=C4
InChI
InChI=1S/C22H29N5/c1-2-26(20-12-5-8-17-9-6-14-24-22(17)20)16-21-25-18-10-3-4-11-19(18)27(21)15-7-13-23/h3-4,6,9-11,14,20H,2,5,7-8,12-13,15-16,23H2,1H3
InChIKey
ASCHSOKJVZUWMP-UHFFFAOYSA-N
Compound name
N-[[1-(3-aminopropyl)benzimidazol-2-yl]methyl]-N-ethyl-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

363.2423 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.24958 188.9
[M+Na]+ 386.23152 194.6
[M-H]- 362.23502 193.5
[M+NH4]+ 381.27612 200.8
[M+K]+ 402.20546 188.1
[M+H-H2O]+ 346.23956 177.3
[M+HCOO]- 408.24050 207.2
[M+CH3COO]- 422.25615 197.4
[M+Na-2H]- 384.21697 192.3
[M]+ 363.24175 189.1
[M]- 363.24285 189.1
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