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 186.8
[M+Na]+ 422.07812 191.0
[M-H]- 398.08162 195.1
[M+NH4]+ 417.12272 197.3
[M+K]+ 438.05206 183.7
[M+H-H2O]+ 382.08616 182.1
[M+HCOO]- 444.08710 205.4
[M+CH3COO]- 458.10275 220.4
[M+Na-2H]- 420.06357 194.2
[M]+ 399.08835 188.3
[M]- 399.08945 188.3
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.