CID 385784

Nsc677178

Structural Information

Molecular Formula
C36H30N10O5S2
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC=CC=N7)C
InChI
InChI=1S/C36H30N10O5S2/c1-22-21-23(2)40-36(39-22)46-53(50,51)27-17-13-25(14-18-27)43-44-33-28-7-3-4-10-31(28)42-32-29(33)8-5-9-30(32)34(47)41-24-11-15-26(16-12-24)52(48,49)45-35-37-19-6-20-38-35/h3-21,43H,1-2H3,(H,41,47)(H,42,44)(H,37,38,45)(H,39,40,46)
InChIKey
VIWHMVITZOPMDO-UHFFFAOYSA-N
Compound name
9-[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

746.1842 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.19148 246.1
[M+Na]+ 769.17342 250.2
[M-H]- 745.17692 255.0
[M+NH4]+ 764.21802 236.2
[M+K]+ 785.14736 242.1
[M+H-H2O]+ 729.18146 233.8
[M+HCOO]- 791.18240 253.0
[M+CH3COO]- 805.19805 247.6
[M+Na-2H]- 767.15887 262.9
[M]+ 746.18365 248.8
[M]- 746.18475 248.8
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.