CID 385750

Nsc677144

Structural Information

Molecular Formula
C38H33N9O5S2
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC(=CC(=N7)C)C)C
InChI
InChI=1S/C38H33N9O5S2/c1-22-19-23(2)40-37(39-22)46-53(49,50)29-14-10-27(11-15-29)43-35-31-7-5-6-8-33(31)45-34-18-9-26(21-32(34)35)36(48)44-28-12-16-30(17-13-28)54(51,52)47-38-41-24(3)20-25(4)42-38/h5-21H,1-4H3,(H,43,45)(H,44,48)(H,39,40,46)(H,41,42,47)
InChIKey
WKWUXCFWIAXSJG-UHFFFAOYSA-N
Compound name
9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

759.2046 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 760.21188 261.7
[M+Na]+ 782.19382 266.8
[M-H]- 758.19732 270.9
[M+NH4]+ 777.23842 251.7
[M+K]+ 798.16776 258.4
[M+H-H2O]+ 742.20186 248.7
[M+HCOO]- 804.20280 266.5
[M+CH3COO]- 818.21845 262.7
[M+Na-2H]- 780.17927 274.6
[M]+ 759.20405 265.9
[M]- 759.20515 265.9
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.