CID 387058

Nsc680448

Structural Information

Molecular Formula
C26H22N4O5S
SMILES
CCOC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=C(C=C4)S(=O)(=O)NC5=NOC(=C5)C
InChI
InChI=1S/C26H22N4O5S/c1-3-34-26(31)21-9-6-8-20-24(19-7-4-5-10-22(19)28-25(20)21)27-17-11-13-18(14-12-17)36(32,33)30-23-15-16(2)35-29-23/h4-15H,3H2,1-2H3,(H,27,28)(H,29,30)
InChIKey
AGQWWPNKMWZJST-UHFFFAOYSA-N
Compound name
ethyl 9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.1311 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.13838 218.1
[M+Na]+ 525.12032 226.6
[M-H]- 501.12382 228.6
[M+NH4]+ 520.16492 224.0
[M+K]+ 541.09426 222.2
[M+H-H2O]+ 485.12836 208.1
[M+HCOO]- 547.12930 233.5
[M+CH3COO]- 561.14495 226.4
[M+Na-2H]- 523.10577 223.8
[M]+ 502.13055 226.3
[M]- 502.13165 226.3
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.