CID 25088420

2-n,9-n-bis(3-(diethylamino)propyl)-7,14-dioxoquinolino(2,3-b)acridine-2,9-disulfonamide

Structural Information

Molecular Formula
C34H42N6O6S2
SMILES
CCN(CC)CCCNS(=O)(=O)C1=CC2=C(C=C1)N=C3C=C4C(=NC5=C(C4=O)C=C(C=C5)S(=O)(=O)NCCCN(CC)CC)C=C3C2=O
InChI
InChI=1S/C34H42N6O6S2/c1-5-39(6-2)17-9-15-35-47(43,44)23-11-13-29-25(19-23)33(41)27-21-32-28(22-31(27)37-29)34(42)26-20-24(12-14-30(26)38-32)48(45,46)36-16-10-18-40(7-3)8-4/h11-14,19-22,35-36H,5-10,15-18H2,1-4H3
InChIKey
JKDYGUYQIVTNHN-UHFFFAOYSA-N
Compound name
2-N,9-N-bis[3-(diethylamino)propyl]-7,14-dioxoquinolino[2,3-b]acridine-2,9-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

694.26074 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 695.26802 256.2
[M+Na]+ 717.24996 257.7
[M-H]- 693.25346 258.7
[M+NH4]+ 712.29456 255.7
[M+K]+ 733.22390 253.5
[M+H-H2O]+ 677.25800 245.4
[M+HCOO]- 739.25894 260.8
[M+CH3COO]- 753.27459 290.5
[M+Na-2H]- 715.23541 266.8
[M]+ 694.26019 267.8
[M]- 694.26129 267.8
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.