CID 139597796

N2,n9-bis[3-(diethylamino)propyl]-5,7,12,14-tetrahydro-7,14-dioxoquino[2,3-b]acridine-2,9-disulfonamide

Structural Information

Molecular Formula
C34H44N6O6S2
SMILES
CCN(CC)CCCNS(=O)(=O)C1=CC2=C(C=C1)NC3=CC4=C(C=C3C2=O)NC5=C(C4=O)C=C(C=C5)S(=O)(=O)NCCCN(CC)CC
InChI
InChI=1S/C34H44N6O6S2/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,(H,37,41)(H,38,42)
InChIKey
XCZNGOAOSFVYJN-UHFFFAOYSA-N
Compound name
2-N,9-N-bis[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2,9-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

696.27637 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 697.283646 255.0
[M+Na]+ 719.265588 257.3
[M-H]- 695.269094 255.9
[M+NH4]+ 714.310193 253.5
[M+K]+ 735.239528 251.9
[M+H-H2O]+ 679.273630 244.8
[M+HCOO]- 741.274571 259.4
[M+CH3COO]- 755.290221 286.4
[M+Na-2H]- 717.251036 266.8
[M]+ 696.27582142 265.9
[M]- 696.27691858 265.9
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.