CID 11661075

Schembl4934725

Structural Information

Molecular Formula
C24H31N5
SMILES
CN1CCC(C1)CN2C3=CC=CC=C3N=C2CN(C)C4CCCC5=C4N=CC=C5
InChI
InChI=1S/C24H31N5/c1-27-14-12-18(15-27)16-29-21-10-4-3-9-20(21)26-23(29)17-28(2)22-11-5-7-19-8-6-13-25-24(19)22/h3-4,6,8-10,13,18,22H,5,7,11-12,14-17H2,1-2H3
InChIKey
NTSBJKADBVYMSM-UHFFFAOYSA-N
Compound name
N-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

389.25793 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.26521 196.6
[M+Na]+ 412.24715 202.1
[M-H]- 388.25065 203.6
[M+NH4]+ 407.29175 207.9
[M+K]+ 428.22109 195.4
[M+H-H2O]+ 372.25519 184.1
[M+HCOO]- 434.25613 211.6
[M+CH3COO]- 448.27178 204.5
[M+Na-2H]- 410.23260 194.8
[M]+ 389.25738 195.3
[M]- 389.25848 195.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe