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 181.7
[M+Na]+ 408.06246 186.3
[M-H]- 384.06596 188.8
[M+NH4]+ 403.10706 192.3
[M+K]+ 424.03640 177.8
[M+H-H2O]+ 368.07050 177.4
[M+HCOO]- 430.07144 200.3
[M+CH3COO]- 444.08709 214.3
[M+Na-2H]- 406.04791 190.3
[M]+ 385.07269 181.7
[M]- 385.07379 181.7
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.