CID 385749

Nsc677143

Structural Information

Molecular Formula
C36H29N9O5S2
SMILES
CC1=NC(=NC=C1)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
InChI
InChI=1S/C36H29N9O5S2/c1-22-17-19-37-35(39-22)44-51(47,48)27-12-8-25(9-13-27)41-33-29-5-3-4-6-31(29)43-32-16-7-24(21-30(32)33)34(46)42-26-10-14-28(15-11-26)52(49,50)45-36-38-20-18-23(2)40-36/h3-21H,1-2H3,(H,41,43)(H,42,46)(H,37,39,44)(H,38,40,45)
InChIKey
CARZYUMVCASIRI-UHFFFAOYSA-N
Compound name
9-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

731.1733 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 732.18058 249.5
[M+Na]+ 754.16252 254.5
[M-H]- 730.16602 258.5
[M+NH4]+ 749.20712 240.3
[M+K]+ 770.13646 246.0
[M+H-H2O]+ 714.17056 236.9
[M+HCOO]- 776.17150 255.3
[M+CH3COO]- 790.18715 251.1
[M+Na-2H]- 752.14797 264.8
[M]+ 731.17275 252.5
[M]- 731.17385 252.5
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.