CID 370675

Nsc644051

Structural Information

Molecular Formula
C26H26ClN5O4S
SMILES
C1CN(CCN1CCO)C(=O)C2=CC=C(C3=C(C4=CC=CC=C4N=C23)NC5=CC=C(C=C5)S(=O)(=O)N)Cl
InChI
InChI=1S/C26H26ClN5O4S/c27-21-10-9-20(26(34)32-13-11-31(12-14-32)15-16-33)25-23(21)24(19-3-1-2-4-22(19)30-25)29-17-5-7-18(8-6-17)37(28,35)36/h1-10,33H,11-16H2,(H,29,30)(H2,28,35,36)
InChIKey
URVLJEIWHLBMHK-UHFFFAOYSA-N
Compound name
4-[[1-chloro-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.1394 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.14668 221.0
[M+Na]+ 562.12862 227.5
[M-H]- 538.13212 226.0
[M+NH4]+ 557.17322 223.4
[M+K]+ 578.10256 219.7
[M+H-H2O]+ 522.13666 210.6
[M+HCOO]- 584.13760 224.2
[M+CH3COO]- 598.15325 226.0
[M+Na-2H]- 560.11407 225.2
[M]+ 539.13885 223.2
[M]- 539.13995 223.2
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.