CID 22709

2vb37cft9b

Structural Information

Molecular Formula
C22H28ClN3O
SMILES
CCN(CC)CCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
InChI
InChI=1S/C22H28ClN3O/c1-4-26(5-2)13-7-6-12-24-22-18-10-8-16(23)14-21(18)25-20-11-9-17(27-3)15-19(20)22/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,25)
InChIKey
TXCSDESMIIXNRY-UHFFFAOYSA-N
Compound name
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

385.19208 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19936 195.0
[M+Na]+ 408.18130 203.0
[M-H]- 384.18480 199.7
[M+NH4]+ 403.22590 208.8
[M+K]+ 424.15524 196.6
[M+H-H2O]+ 368.18934 185.7
[M+HCOO]- 430.19028 212.7
[M+CH3COO]- 444.20593 231.0
[M+Na-2H]- 406.16675 200.1
[M]+ 385.19153 203.7
[M]- 385.19263 203.7
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.