CID 11581881

Schembl4939561

Structural Information

Molecular Formula
C24H31N5
SMILES
CN(CC1=NC2=CC=CC=C2N1CC3CCNCC3)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C24H31N5/c1-28(22-10-4-6-19-7-5-13-26-24(19)22)17-23-27-20-8-2-3-9-21(20)29(23)16-18-11-14-25-15-12-18/h2-3,5,7-9,13,18,22,25H,4,6,10-12,14-17H2,1H3
InChIKey
SIQJINIEOSWWSC-UHFFFAOYSA-N
Compound name
N-methyl-N-[[1-(piperidin-4-ylmethyl)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

389.25793 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.26521 195.0
[M+Na]+ 412.24715 198.2
[M-H]- 388.25065 199.2
[M+NH4]+ 407.29175 203.1
[M+K]+ 428.22109 190.4
[M+H-H2O]+ 372.25519 181.5
[M+HCOO]- 434.25613 206.1
[M+CH3COO]- 448.27178 201.1
[M+Na-2H]- 410.23260 196.1
[M]+ 389.25738 189.0
[M]- 389.25848 189.0
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