CID 511174

1,3-propanediamine, n-[3-[[3-[(6-chloro-2-methoxy-9-acridinyl)amino]propyl]amino]propyl]-

Structural Information

Molecular Formula
C23H32ClN5O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCNCCCNCCCN
InChI
InChI=1S/C23H32ClN5O/c1-30-18-6-8-21-20(16-18)23(19-7-5-17(24)15-22(19)29-21)28-14-4-13-27-12-3-11-26-10-2-9-25/h5-8,15-16,26-27H,2-4,9-14,25H2,1H3,(H,28,29)
InChIKey
FGVJRLFGVSOCLM-UHFFFAOYSA-N
Compound name
N'-[3-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propylamino]propyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.22955 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.23683 201.8
[M+Na]+ 452.21877 207.6
[M-H]- 428.22227 204.3
[M+NH4]+ 447.26337 212.3
[M+K]+ 468.19271 199.9
[M+H-H2O]+ 412.22681 192.3
[M+HCOO]- 474.22775 220.3
[M+CH3COO]- 488.24340 240.5
[M+Na-2H]- 450.20422 208.0
[M]+ 429.22900 207.6
[M]- 429.23010 207.6
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.