CID 487306

8-(2-naphthylsulfonyl)-5-nitroquinoline

Structural Information

Molecular Formula
C19H12N2O4S
SMILES
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4
InChI
InChI=1S/C19H12N2O4S/c22-21(23)17-9-10-18(19-16(17)6-3-11-20-19)26(24,25)15-8-7-13-4-1-2-5-14(13)12-15/h1-12H
InChIKey
IPCYGXKPWYAJMY-UHFFFAOYSA-N
Compound name
8-naphthalen-2-ylsulfonyl-5-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.0518 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.05908 180.0
[M+Na]+ 387.04102 188.5
[M-H]- 363.04452 187.6
[M+NH4]+ 382.08562 192.0
[M+K]+ 403.01496 178.5
[M+H-H2O]+ 347.04906 175.1
[M+HCOO]- 409.05000 196.9
[M+CH3COO]- 423.06565 206.7
[M+Na-2H]- 385.02647 191.2
[M]+ 364.05125 182.3
[M]- 364.05235 182.3
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

No patent data available for this compound.