CID 73557348

Quino[2,3-b]acridinedisulfonamide, n,n'-bis[3-(diethylamino)propyl]-5,7,12,14-tetrahydro-7,14-dioxo-

Structural Information

Molecular Formula
C34H44N6O6S2
SMILES
CCN(CC)CCCNS(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=C(N2)C=C4C(=C3)NC5=C(C4=O)C=CC=C5S(=O)(=O)NCCCN(CC)CC
InChI
InChI=1S/C34H44N6O6S2/c1-5-39(6-2)18-10-16-35-47(43,44)23-14-15-24-28(20-23)37-29-21-27-30(22-26(29)33(24)41)38-32-25(34(27)42)12-9-13-31(32)48(45,46)36-17-11-19-40(7-3)8-4/h9,12-15,20-22,35-36H,5-8,10-11,16-19H2,1-4H3,(H,37,41)(H,38,42)
InChIKey
KRLCHEHNYWWQKD-UHFFFAOYSA-N
Compound name
3-N,11-N-bis[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3,11-disulfonamide
Related CIDs

2D Structure

compound 2d structure
2
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]+ 697.28365 255.0
[M+Na]+ 719.26559 257.3
[M-H]- 695.26909 255.9
[M+NH4]+ 714.31019 253.5
[M+K]+ 735.23953 251.9
[M+H-H2O]+ 679.27363 244.8
[M+HCOO]- 741.27457 259.4
[M+CH3COO]- 755.29022 286.4
[M+Na-2H]- 717.25104 266.8
[M]+ 696.27582 265.9
[M]- 696.27692 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.