CID 511173

1,2-ethanediamine, n-[2-[[2-[(6-chloro-2-methoxy-9-acridinyl)amino]ethyl]amino]ethyl]-

Structural Information

Molecular Formula
C20H26ClN5O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCCNCCN
InChI
InChI=1S/C20H26ClN5O/c1-27-15-3-5-18-17(13-15)20(16-4-2-14(21)12-19(16)26-18)25-11-10-24-9-8-23-7-6-22/h2-5,12-13,23-24H,6-11,22H2,1H3,(H,25,26)
InChIKey
PQGQMKALGORNSP-UHFFFAOYSA-N
Compound name
N'-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethylamino]ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1826 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.18988 188.9
[M+Na]+ 410.17182 196.1
[M-H]- 386.17532 192.0
[M+NH4]+ 405.21642 201.2
[M+K]+ 426.14576 189.0
[M+H-H2O]+ 370.17986 180.1
[M+HCOO]- 432.18080 208.5
[M+CH3COO]- 446.19645 231.8
[M+Na-2H]- 408.15727 196.6
[M]+ 387.18205 193.8
[M]- 387.18315 193.8
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.