CID 511172

Gnf-pf-2783

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
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 191.4
[M+Na]+ 410.17182 198.7
[M-H]- 386.17532 195.4
[M+NH4]+ 405.21642 204.0
[M+K]+ 426.14576 192.6
[M+H-H2O]+ 370.17986 182.4
[M+HCOO]- 432.18080 210.8
[M+CH3COO]- 446.19645 234.4
[M+Na-2H]- 408.15727 197.1
[M]+ 387.18205 196.5
[M]- 387.18315 196.5
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

No patent data available for this compound.