CID 385794

Nsc677188

Structural Information

Molecular Formula
C38H35N11O5S2
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NNC6=CC=C(C=C6)S(=O)(=O)NC7=NC(=CC(=N7)C)C)C
InChI
InChI=1S/C38H35N11O5S2/c1-22-20-23(2)40-37(39-22)48-55(51,52)28-16-12-26(13-17-28)44-46-35-30-8-5-6-11-33(30)43-34-31(35)9-7-10-32(34)36(50)47-45-27-14-18-29(19-15-27)56(53,54)49-38-41-24(3)21-25(4)42-38/h5-21,44-45H,1-4H3,(H,43,46)(H,47,50)(H,39,40,48)(H,41,42,49)
InChIKey
WEWOJNVNZYVRNU-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-4-[2-[4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]carbamoyl]acridin-9-yl]hydrazinyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

789.2264 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 790.23368 260.9
[M+Na]+ 812.21562 274.1
[M-H]- 788.21912 257.7
[M+NH4]+ 807.26022 265.8
[M+K]+ 828.18956 257.9
[M+H-H2O]+ 772.22366 242.1
[M+HCOO]- 834.22460 266.6
[M+CH3COO]- 848.24025 269.5
[M+Na-2H]- 810.20107 277.1
[M]+ 789.22585 306.3
[M]- 789.22695 306.3
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.