CID 73349008

Hbx 19818

Structural Information

Molecular Formula
C25H28ClN3O
SMILES
CN(CCCNC(=O)C1=CC2=C(C=C1)N=C3CCCCC3=C2Cl)CC4=CC=CC=C4
InChI
InChI=1S/C25H28ClN3O/c1-29(17-18-8-3-2-4-9-18)15-7-14-27-25(30)19-12-13-23-21(16-19)24(26)20-10-5-6-11-22(20)28-23/h2-4,8-9,12-13,16H,5-7,10-11,14-15,17H2,1H3,(H,27,30)
InChIKey
ZCALMLVWZSQGGR-UHFFFAOYSA-N
Compound name
N-[3-[benzyl(methyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

27
Patents

421.19208 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.19936 202.2
[M+Na]+ 444.18130 206.2
[M-H]- 420.18480 208.3
[M+NH4]+ 439.22590 213.1
[M+K]+ 460.15524 199.2
[M+H-H2O]+ 404.18934 191.4
[M+HCOO]- 466.19028 215.1
[M+CH3COO]- 480.20593 209.6
[M+Na-2H]- 442.16675 205.1
[M]+ 421.19153 203.3
[M]- 421.19263 203.3
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