CID 538439

10228-31-6

Structural Information

Molecular Formula
C16H17N3O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)N(C)C(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C16H17N3O5S/c1-11-4-7-14(8-5-11)25(23,24)17-15-9-6-13(18(3)12(2)20)10-16(15)19(21)22/h4-10,17H,1-3H3
InChIKey
COIZBYPZNBZLPW-UHFFFAOYSA-N
Compound name
N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.0889 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09618 176.8
[M+Na]+ 386.07812 187.6
[M+NH4]+ 381.12272 182.3
[M+K]+ 402.05206 184.5
[M-H]- 362.08162 181.0
[M+Na-2H]- 384.06357 183.5
[M]+ 363.08835 179.7
[M]- 363.08945 179.7
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.