CID 365404

Nsc633024

Structural Information

Molecular Formula
C38H32ClN9O5S2
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC5=C3C=CC=C5C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC(=CC(=N7)C)C)Cl)C
InChI
InChI=1S/C38H32ClN9O5S2/c1-21-18-22(2)41-37(40-21)47-54(50,51)28-13-9-26(10-14-28)44-34-30-17-8-25(39)20-33(30)46-35-31(34)6-5-7-32(35)36(49)45-27-11-15-29(16-12-27)55(52,53)48-38-42-23(3)19-24(4)43-38/h5-20H,1-4H3,(H,44,46)(H,45,49)(H,40,41,47)(H,42,43,48)
InChIKey
NOTXHJJZOBYGHI-UHFFFAOYSA-N
Compound name
6-chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

793.16565 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 794.17293 265.1
[M+Na]+ 816.15487 271.2
[M-H]- 792.15837 274.7
[M+NH4]+ 811.19947 255.1
[M+K]+ 832.12881 263.3
[M+H-H2O]+ 776.16291 252.6
[M+HCOO]- 838.16385 266.0
[M+CH3COO]- 852.17950 266.2
[M+Na-2H]- 814.14032 256.7
[M]+ 793.16510 272.5
[M]- 793.16620 272.5
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.