CID 385777

Nsc677171

Structural Information

Molecular Formula
C26H22N6O4S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O)C
InChI
InChI=1S/C26H22N6O4S/c1-15-14-16(2)28-26(27-15)32-37(35,36)18-12-10-17(11-13-18)30-31-25(34)21-8-5-7-20-23(21)29-22-9-4-3-6-19(22)24(20)33/h3-14,30H,1-2H3,(H,29,33)(H,31,34)(H,27,28,32)
InChIKey
QULAJEOLRFQNKG-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-4-[2-(9-oxo-10H-acridine-4-carbonyl)hydrazinyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.14233 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.14961 218.3
[M+Na]+ 537.13155 226.3
[M-H]- 513.13505 224.9
[M+NH4]+ 532.17615 220.6
[M+K]+ 553.10549 218.3
[M+H-H2O]+ 497.13959 206.8
[M+HCOO]- 559.14053 231.4
[M+CH3COO]- 573.15618 224.5
[M+Na-2H]- 535.11700 227.2
[M]+ 514.14178 221.3
[M]- 514.14288 221.3
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.