CID 4145795

55691-89-9

Structural Information

Molecular Formula
C18H15N3O5S
SMILES
CC(=O)NC1=CC(=C(C2=CC=CC=C21)NS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H15N3O5S/c1-12(22)19-16-11-17(21(23)24)18(15-10-6-5-9-14(15)16)20-27(25,26)13-7-3-2-4-8-13/h2-11,20H,1H3,(H,19,22)
InChIKey
DPMOCQDIQBGLBA-UHFFFAOYSA-N
Compound name
N-[4-(benzenesulfonamido)-3-nitronaphthalen-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.07324 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.08052 179.7
[M+Na]+ 408.06246 191.8
[M+NH4]+ 403.10706 185.9
[M+K]+ 424.03640 187.2
[M-H]- 384.06596 184.8
[M+Na-2H]- 406.04791 187.4
[M]+ 385.07269 183.1
[M]- 385.07379 183.1
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.