CID 391139

Nsc689865

Structural Information

Molecular Formula
C24H18N6O5S
SMILES
COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)[N+](=O)[O-]
InChI
InChI=1S/C24H18N6O5S/c1-35-21-5-2-4-19-22(18-11-8-16(30(31)32)14-20(18)28-23(19)21)27-15-6-9-17(10-7-15)36(33,34)29-24-25-12-3-13-26-24/h2-14H,1H3,(H,27,28)(H,25,26,29)
InChIKey
RXMBUEYOXKGTMD-UHFFFAOYSA-N
Compound name
4-[(5-methoxy-3-nitroacridin-9-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.10593 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.11321 208.9
[M+Na]+ 525.09515 214.7
[M-H]- 501.09865 216.6
[M+NH4]+ 520.13975 211.0
[M+K]+ 541.06909 204.0
[M+H-H2O]+ 485.10319 200.5
[M+HCOO]- 547.10413 224.1
[M+CH3COO]- 561.11978 237.4
[M+Na-2H]- 523.08060 222.9
[M]+ 502.10538 211.1
[M]- 502.10648 211.1
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.