CID 511164

Schembl23795497

Structural Information

Molecular Formula
C17H18ClN3O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN
InChI
InChI=1S/C17H18ClN3O/c1-22-12-4-6-15-14(10-12)17(20-8-2-7-19)13-5-3-11(18)9-16(13)21-15/h3-6,9-10H,2,7-8,19H2,1H3,(H,20,21)
InChIKey
MZVOVVYHYVSCBS-UHFFFAOYSA-N
Compound name
N'-(6-chloro-2-methoxyacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

315.11383 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12111 171.4
[M+Na]+ 338.10305 181.9
[M-H]- 314.10655 175.3
[M+NH4]+ 333.14765 187.5
[M+K]+ 354.07699 174.9
[M+H-H2O]+ 298.11109 163.7
[M+HCOO]- 360.11203 190.0
[M+CH3COO]- 374.12768 182.9
[M+Na-2H]- 336.08850 179.3
[M]+ 315.11328 176.5
[M]- 315.11438 176.5
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

No patent data available for this compound.