CID 385769

Nsc677163

Structural Information

Molecular Formula
C26H24N6O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C4=CC=CC=C4N(C5=CC=CC=C53)C)C
InChI
InChI=1S/C26H24N6O2S/c1-17-16-18(2)28-26(27-17)31-35(33,34)20-14-12-19(13-15-20)29-30-25-21-8-4-6-10-23(21)32(3)24-11-7-5-9-22(24)25/h4-16,29H,1-3H3,(H,27,28,31)
InChIKey
ZCXDVCZDXCBIPR-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-4-[2-(10-methylacridin-9-ylidene)hydrazinyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.16815 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.17543 217.3
[M+Na]+ 507.15737 227.4
[M-H]- 483.16087 226.5
[M+NH4]+ 502.20197 222.7
[M+K]+ 523.13131 218.6
[M+H-H2O]+ 467.16541 204.8
[M+HCOO]- 529.16635 233.8
[M+CH3COO]- 543.18200 225.2
[M+Na-2H]- 505.14282 226.4
[M]+ 484.16760 222.1
[M]- 484.16870 222.1
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.