CID 11553228

Schembl4934704

Structural Information

Molecular Formula
C24H31N5O
SMILES
CN(CC1=NC2=CC=CC=C2N1CCN3CCOCC3)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C24H31N5O/c1-27(22-10-4-6-19-7-5-11-25-24(19)22)18-23-26-20-8-2-3-9-21(20)29(23)13-12-28-14-16-30-17-15-28/h2-3,5,7-9,11,22H,4,6,10,12-18H2,1H3
InChIKey
CRSPNDQKCCZUMP-UHFFFAOYSA-N
Compound name
N-methyl-N-[[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

405.25287 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.26015 199.3
[M+Na]+ 428.24209 203.0
[M-H]- 404.24559 205.3
[M+NH4]+ 423.28669 206.0
[M+K]+ 444.21603 197.5
[M+H-H2O]+ 388.25013 185.3
[M+HCOO]- 450.25107 210.9
[M+CH3COO]- 464.26672 205.8
[M+Na-2H]- 426.22754 200.6
[M]+ 405.25232 196.8
[M]- 405.25342 196.8
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