CID 370669

Nsc644045

Structural Information

Molecular Formula
C26H21N5O3S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=CC5=CC=CC=C5N=C43)C
InChI
InChI=1S/C26H21N5O3S/c1-16-14-17(2)28-26(27-16)31-35(33,34)21-12-10-20(11-13-21)29-25(32)22-8-5-7-19-15-18-6-3-4-9-23(18)30-24(19)22/h3-15H,1-2H3,(H,29,32)(H,27,28,31)
InChIKey
BFCCRFUBHHOGDU-UHFFFAOYSA-N
Compound name
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.1365 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.14378 214.8
[M+Na]+ 506.12572 223.7
[M-H]- 482.12922 222.5
[M+NH4]+ 501.17032 219.3
[M+K]+ 522.09966 215.6
[M+H-H2O]+ 466.13376 202.9
[M+HCOO]- 528.13470 228.1
[M+CH3COO]- 542.15035 222.0
[M+Na-2H]- 504.11117 222.9
[M]+ 483.13595 218.8
[M]- 483.13705 218.8
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.