CID 108129

Dtxsid40866965

Structural Information

Molecular Formula
C21H26ClN3O2
SMILES
CCN(CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCO
InChI
InChI=1S/C21H26ClN3O2/c1-3-25(11-12-26)10-4-9-23-21-17-7-5-15(22)13-20(17)24-19-8-6-16(27-2)14-18(19)21/h5-8,13-14,26H,3-4,9-12H2,1-2H3,(H,23,24)
InChIKey
WEGVLFKMVPYPMG-UHFFFAOYSA-N
Compound name
2-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl-ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.17136 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17864 192.3
[M+Na]+ 410.16058 200.2
[M-H]- 386.16408 195.9
[M+NH4]+ 405.20518 205.3
[M+K]+ 426.13452 194.0
[M+H-H2O]+ 370.16862 183.5
[M+HCOO]- 432.16956 209.2
[M+CH3COO]- 446.18521 227.8
[M+Na-2H]- 408.14603 197.9
[M]+ 387.17081 200.4
[M]- 387.17191 200.4
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.