CID 365402

Nsc633022

Structural Information

Molecular Formula
C34H26ClN7O7S2
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)Cl
InChI
InChI=1S/C34H26ClN7O7S2/c1-19-17-29(39-48-19)41-50(44,45)23-11-7-21(8-12-23)36-32-25-5-3-4-6-28(25)38-33-26(15-16-27(35)31(32)33)34(43)37-22-9-13-24(14-10-22)51(46,47)42-30-18-20(2)49-40-30/h3-18H,1-2H3,(H,36,38)(H,37,43)(H,39,41)(H,40,42)
InChIKey
VEVDAEHMNYLCTR-UHFFFAOYSA-N
Compound name
1-chloro-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

743.10236 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 744.10964 259.6
[M+Na]+ 766.09158 267.8
[M-H]- 742.09508 276.2
[M+NH4]+ 761.13618 255.8
[M+K]+ 782.06552 265.6
[M+H-H2O]+ 726.09962 252.5
[M+HCOO]- 788.10056 267.1
[M+CH3COO]- 802.11621 264.8
[M+Na-2H]- 764.07703 255.4
[M]+ 743.10181 284.4
[M]- 743.10291 284.4
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.