CID 335980

Nsc348893

Structural Information

Molecular Formula
C25H19N5O3S
SMILES
COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=C4C=CC=CC4=NC5=CC=CC=C53
InChI
InChI=1S/C25H19N5O3S/c1-33-25-15-14-24(28-29-25)30-34(31,32)18-12-10-17(11-13-18)26-16-21-19-6-2-4-8-22(19)27-23-9-5-3-7-20(21)23/h2-16H,1H3,(H,28,30)
InChIKey
OEZTYNIIJBNRDF-UHFFFAOYSA-N
Compound name
4-(acridin-9-ylmethylideneamino)-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

469.12085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.12813 210.9
[M+Na]+ 492.11007 220.4
[M-H]- 468.11357 219.7
[M+NH4]+ 487.15467 216.6
[M+K]+ 508.08401 212.3
[M+H-H2O]+ 452.11811 198.3
[M+HCOO]- 514.11905 227.1
[M+CH3COO]- 528.13470 219.0
[M+Na-2H]- 490.09552 221.2
[M]+ 469.12030 216.3
[M]- 469.12140 216.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe