CID 371140

Nsc645144

Structural Information

Molecular Formula
C19H12N2O2S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H12N2O2S/c22-21(23)13-9-11-14(12-10-13)24-19-15-5-1-3-7-17(15)20-18-8-4-2-6-16(18)19/h1-12H
InChIKey
DFPBXHGVDBKLNF-UHFFFAOYSA-N
Compound name
9-(4-nitrophenyl)sulfanylacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.06195 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06923 171.7
[M+Na]+ 355.05117 180.2
[M-H]- 331.05467 179.1
[M+NH4]+ 350.09577 185.3
[M+K]+ 371.02511 169.4
[M+H-H2O]+ 315.05921 166.7
[M+HCOO]- 377.06015 189.6
[M+CH3COO]- 391.07580 203.9
[M+Na-2H]- 353.03662 181.1
[M]+ 332.06140 173.3
[M]- 332.06250 173.3
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.