CID 2856960

55691-91-3

Structural Information

Molecular Formula
C19H17N3O5S
SMILES
CC(=O)NC1=CC(=C(C2=CC=CC=C21)N(C)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H17N3O5S/c1-13(23)20-17-12-18(22(24)25)19(16-11-7-6-10-15(16)17)21(2)28(26,27)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,20,23)
InChIKey
ULVJMENSOWQVSI-UHFFFAOYSA-N
Compound name
N-[4-[benzenesulfonyl(methyl)amino]-3-nitronaphthalen-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.0889 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.09618 183.4
[M+Na]+ 422.07812 195.4
[M+NH4]+ 417.12272 189.7
[M+K]+ 438.05206 191.2
[M-H]- 398.08162 188.8
[M+Na-2H]- 420.06357 191.2
[M]+ 399.08835 186.9
[M]- 399.08945 186.9
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.