CID 384531

Nsc674502

Structural Information

Molecular Formula
C30H30N6O6S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC(CO)(CO)CO)C
InChI
InChI=1S/C30H30N6O6S/c1-18-14-19(2)32-29(31-18)36-43(41,42)21-12-10-20(11-13-21)33-26-22-6-3-4-9-25(22)34-27-23(26)7-5-8-24(27)28(40)35-30(15-37,16-38)17-39/h3-14,37-39H,15-17H2,1-2H3,(H,33,34)(H,35,40)(H,31,32,36)
InChIKey
GQHFXCLQGQUMNO-UHFFFAOYSA-N
Compound name
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.19476 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.20204 235.2
[M+Na]+ 625.18398 239.0
[M-H]- 601.18748 238.6
[M+NH4]+ 620.22858 232.3
[M+K]+ 641.15792 233.2
[M+H-H2O]+ 585.19202 224.2
[M+HCOO]- 647.19296 242.6
[M+CH3COO]- 661.20861 261.1
[M+Na-2H]- 623.16943 244.9
[M]+ 602.19421 238.7
[M]- 602.19531 238.7
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.