CID 11552714

Schembl4935874

Structural Information

Molecular Formula
C24H25N5
SMILES
CN(CC1=NC2=CC=CC=C2N1CC3=CC=NC=C3)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C24H25N5/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/h2-3,5,7-9,11-15,22H,4,6,10,16-17H2,1H3
InChIKey
RDPOMKKCZGEBLD-UHFFFAOYSA-N
Compound name
N-methyl-N-[[1-(pyridin-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

383.211 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21828 193.6
[M+Na]+ 406.20022 200.3
[M-H]- 382.20372 200.3
[M+NH4]+ 401.24482 202.8
[M+K]+ 422.17416 192.5
[M+H-H2O]+ 366.20826 179.8
[M+HCOO]- 428.20920 210.2
[M+CH3COO]- 442.22485 201.8
[M+Na-2H]- 404.18567 198.0
[M]+ 383.21045 193.4
[M]- 383.21155 193.4
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