CID 353206

Nsc600758

Structural Information

Molecular Formula
C18H11N3O2S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=NC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C18H11N3O2S/c22-21(23)12-9-10-17(19-11-12)24-18-13-5-1-3-7-15(13)20-16-8-4-2-6-14(16)18/h1-11H
InChIKey
XEKOLQDJUMNOGB-UHFFFAOYSA-N
Compound name
9-(5-nitropyridin-2-yl)sulfanylacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.0572 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06448 171.0
[M+Na]+ 356.04642 180.0
[M-H]- 332.04992 177.2
[M+NH4]+ 351.09102 183.2
[M+K]+ 372.02036 169.0
[M+H-H2O]+ 316.05446 165.5
[M+HCOO]- 378.05540 188.0
[M+CH3COO]- 392.07105 203.6
[M+Na-2H]- 354.03187 181.3
[M]+ 333.05665 172.6
[M]- 333.05775 172.6
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.