CID 511165

N'-(6-chloro-2-methoxy-acridin-9-yl)butane-1,4-diamine

Structural Information

Molecular Formula
C18H20ClN3O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCN
InChI
InChI=1S/C18H20ClN3O/c1-23-13-5-7-16-15(11-13)18(21-9-3-2-8-20)14-6-4-12(19)10-17(14)22-16/h4-7,10-11H,2-3,8-9,20H2,1H3,(H,21,22)
InChIKey
CUAXMFYZDLXXBK-UHFFFAOYSA-N
Compound name
N'-(6-chloro-2-methoxyacridin-9-yl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

329.1295 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13678 176.0
[M+Na]+ 352.11872 186.0
[M-H]- 328.12222 179.7
[M+NH4]+ 347.16332 191.5
[M+K]+ 368.09266 178.8
[M+H-H2O]+ 312.12676 168.1
[M+HCOO]- 374.12770 194.2
[M+CH3COO]- 388.14335 187.0
[M+Na-2H]- 350.10417 183.3
[M]+ 329.12895 181.4
[M]- 329.13005 181.4
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