CID 511170

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

Structural Information

Molecular Formula
C18H21ClN4O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCCN
InChI
InChI=1S/C18H21ClN4O/c1-24-13-3-5-16-15(11-13)18(22-9-8-21-7-6-20)14-4-2-12(19)10-17(14)23-16/h2-5,10-11,21H,6-9,20H2,1H3,(H,22,23)
InChIKey
UGLGUXXAHPKTAD-UHFFFAOYSA-N
Compound name
N'-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14038 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14766 178.4
[M+Na]+ 367.12960 187.5
[M-H]- 343.13310 182.0
[M+NH4]+ 362.17420 192.9
[M+K]+ 383.10354 180.5
[M+H-H2O]+ 327.13764 170.3
[M+HCOO]- 389.13858 197.7
[M+CH3COO]- 403.15423 188.9
[M+Na-2H]- 365.11505 186.4
[M]+ 344.13983 183.3
[M]- 344.14093 183.3
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.