CID 56843832

Quino(2,3-b)acridinesulfonamide, n-(3-(diethylamino)propyl)-5,7,12,14-tetrahydro-7,14-dioxo-

Structural Information

Molecular Formula
C27H28N4O4S
SMILES
CCN(CC)CCCNS(=O)(=O)C1=C2C(=CC3=C1C(=O)C4=CC=CC=C4N3)C(=O)C5=CC=CC=C5N2
InChI
InChI=1S/C27H28N4O4S/c1-3-31(4-2)15-9-14-28-36(34,35)27-23-22(29-20-12-7-6-11-18(20)26(23)33)16-19-24(27)30-21-13-8-5-10-17(21)25(19)32/h5-8,10-13,16,28H,3-4,9,14-15H2,1-2H3,(H,29,33)(H,30,32)
InChIKey
PBSDFSYNNWGUAW-UHFFFAOYSA-N
Compound name
N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

504.18314 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.19042 217.3
[M+Na]+ 527.17236 226.0
[M-H]- 503.17586 220.2
[M+NH4]+ 522.21696 224.2
[M+K]+ 543.14630 218.4
[M+H-H2O]+ 487.18040 207.1
[M+HCOO]- 549.18134 228.3
[M+CH3COO]- 563.19699 223.9
[M+Na-2H]- 525.15781 226.6
[M]+ 504.18259 224.8
[M]- 504.18369 224.8
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.